N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C12H27N3O3S — CID 79165106

IUPACN-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN1CCOC(CNCC(C)(C)NS(C)(=O)=O)C1
InChIInChI=1S/C12H27N3O3S/c1-5-15-6-7-18-11(9-15)8-13-10-12(2,3)14-19(4,16)17/h11,13-14H,5-10H2,1-4H3
InChIKeyKBABTDRPVKAQGB-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.38
Rot. Bonds7

About N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 79165106) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID79165106
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN1CCOC(CNCC(C)(C)NS(C)(=O)=O)C1
InChIInChI=1S/C12H27N3O3S/c1-5-15-6-7-18-11(9-15)8-13-10-12(2,3)14-19(4,16)17/h11,13-14H,5-10H2,1-4H3
InChIKeyKBABTDRPVKAQGB-UHFFFAOYSA-N
XLogP-0.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
CID 114164317
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106128851
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 79165106) is N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CCN1CCOC(CNCC(C)(C)NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is KBABTDRPVKAQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-5-15-6-7-18-11(9-15)8-13-10-12(2,3)14-19(4,16)17/h11,13-14H,5-10H2,1-4H3.
What are the key properties of N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 79165106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).