5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide

C18H30N2O3S — CID 155346979

IUPAC5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H30N2O3S/c1-15(20-24(21,22)13-6-2-5-12-19)16-8-7-11-18(14-16)23-17-9-3-4-10-17/h7-8,11,14-15,17,20H,2-6,9-10,12-13,19H2,1H3
InChIKeyCNCZVCXLSXMSCX-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.12
Rot. Bonds10

About 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide

5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide (PubChem CID 155346979) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
PubChem CID155346979
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H30N2O3S/c1-15(20-24(21,22)13-6-2-5-12-19)16-8-7-11-18(14-16)23-17-9-3-4-10-17/h7-8,11,14-15,17,20H,2-6,9-10,12-13,19H2,1H3
InChIKeyCNCZVCXLSXMSCX-UHFFFAOYSA-N
XLogP3.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.12
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

N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-6,6-dimethylheptane-1-sulfonamide
CID 146353248
3-[[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]sulfamoyl]propyl acetate
CID 139451649
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 70661422
N-[(1R)-1-(3-cyclopentyloxyphenyl)ethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 53233948
3-(methoxymethoxy)-N-[(1R)-1-[3-(oxan-4-yloxy)phenyl]ethyl]propane-1-sulfonamide
CID 70661427
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
N-[(1R)-1-(3-cyclopentyloxyphenyl)butyl]-3-(methoxymethoxy)propane-1-sulfonamide
CID 89127982
N-[1-(3-cyclopentyloxyphenyl)ethyl]butan-2-amine
CID 132649569
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
CID 153312148

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide (CID 155346979) is 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCN)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide?
The InChIKey is CNCZVCXLSXMSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-15(20-24(21,22)13-6-2-5-12-19)16-8-7-11-18(14-16)23-17-9-3-4-10-17/h7-8,11,14-15,17,20H,2-6,9-10,12-13,19H2,1H3.
What are the key properties of 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide?
5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-cyclopentyloxyphenyl)ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 155346979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).