N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide

C12H27N3O3S — CID 107088893

IUPACN-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C12H27N3O3S/c1-3-4-13-11-12(2)19(16,17)14-5-6-15-7-9-18-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyLGODGDPEYZAAAT-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.37
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide

N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 107088893) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID107088893
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C12H27N3O3S/c1-3-4-13-11-12(2)19(16,17)14-5-6-15-7-9-18-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyLGODGDPEYZAAAT-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106094880
N-(3,3-dimethylbutyl)-1-(propylamino)propane-2-sulfonamide
CID 114142376
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
1-ethylsulfonyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 113494494
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
2-methyl-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 63964280
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
CID 114133400

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide (CID 107088893) is N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is LGODGDPEYZAAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-3-4-13-11-12(2)19(16,17)14-5-6-15-7-9-18-10-8-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide?
N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 107088893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).