3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide

C15H24N2O3S — CID 106070641

IUPAC3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)CCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(13-4-8-15(20-2)9-5-13)17-21(18,19)11-3-10-16-14-6-7-14/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3
InChIKeyGBISGLOPYXPNLW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds9

About 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide

3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 106070641) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID106070641
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)CCCNC2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(13-4-8-15(20-2)9-5-13)17-21(18,19)11-3-10-16-14-6-7-14/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3
InChIKeyGBISGLOPYXPNLW-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
2-(cyclopropylamino)-N-[1-(3-fluoro-4-methylphenyl)ethyl]ethanesulfonamide
CID 106071833
N-[1-(4-bromophenyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106049535
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide (CID 106070641) is 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide is COc1ccc(C(C)NS(=O)(=O)CCCNC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is GBISGLOPYXPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-4-8-15(20-2)9-5-13)17-21(18,19)11-3-10-16-14-6-7-14/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide?
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106070641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).