N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

C18H36N6O4S — CID 110036919

IUPACN,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCCCN1CCOCC1)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C18H36N6O4S/c1-22(2)17(25)15-21-18(19-7-5-8-23-10-12-28-13-11-23)20-14-16-6-4-9-24(16)29(3,26)27/h16H,4-15H2,1-3H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyUFWIBLXJLVIZON-MRXNPFEDSA-N
MW432.59 g/mol
LogP-1.24
Rot. Bonds9

About N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (PubChem CID 110036919) has the molecular formula C18H36N6O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
PubChem CID110036919
Molecular FormulaC18H36N6O4S
Molecular Weight432.59 g/mol
Exact Mass432.25
IUPAC NameN,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCCCN1CCOCC1)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C18H36N6O4S/c1-22(2)17(25)15-21-18(19-7-5-8-23-10-12-28-13-11-23)20-14-16-6-4-9-24(16)29(3,26)27/h16H,4-15H2,1-3H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyUFWIBLXJLVIZON-MRXNPFEDSA-N
XLogP-1.24
TPSA106.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(thiolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110045830
N,N-dimethyl-2-[[[3-(4-methylpiperidin-1-yl)propylamino]-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide
CID 111777632
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(prop-2-enylamino)methylidene]amino]acetamide;hydroiodide
CID 110033568
2-[[(cyclopentylamino)-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036474
2-[[(cyclohexylamino)-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034039
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298
N,N-dimethyl-2-[[[(2-methyl-2-morpholin-4-ylpropyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111315577
2-[[(1,4-dioxaspiro[4.5]decan-3-ylmethylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034137
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
CID 110038941
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
2-[[(5,5-dimethylhexan-2-ylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043891

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide (CID 110036919) is N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(/NCCCN1CCOCC1)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
The InChIKey is UFWIBLXJLVIZON-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H36N6O4S/c1-22(2)17(25)15-21-18(19-7-5-8-23-10-12-28-13-11-23)20-14-16-6-4-9-24(16)29(3,26)27/h16H,4-15H2,1-3H3,(H2,19,20,21)/t16-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide has a molecular weight of 432.59 g/mol, XLogP of -1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110036919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).