N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide

C15H24N2O3S — CID 105360435

IUPACN-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
SMILESCOc1cccc(N(CCCN)S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-20-14-7-4-6-13(12-14)17(11-5-10-16)21(18,19)15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11,16H2,1H3
InChIKeyRSKXAHNRSAKPEN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.12
Rot. Bonds7

About N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide

N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide (PubChem CID 105360435) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
PubChem CID105360435
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
SMILESCOc1cccc(N(CCCN)S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C15H24N2O3S/c1-20-14-7-4-6-13(12-14)17(11-5-10-16)21(18,19)15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11,16H2,1H3
InChIKeyRSKXAHNRSAKPEN-UHFFFAOYSA-N
XLogP2.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 28769805
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N'-cyclohexyl-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 43137618
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide (CID 105360435) is N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide is COc1cccc(N(CCCN)S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide?
The InChIKey is RSKXAHNRSAKPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-14-7-4-6-13(12-14)17(11-5-10-16)21(18,19)15-8-2-3-9-15/h4,6-7,12,15H,2-3,5,8-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide?
N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide is sourced from PubChem (CID 105360435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).