3-(cyclopentylmethylamino)propane-1-sulfonamide

C9H20N2O2S — CID 62071058

IUPAC3-(cyclopentylmethylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCC1CCCC1
InChIInChI=1S/C9H20N2O2S/c10-14(12,13)7-3-6-11-8-9-4-1-2-5-9/h9,11H,1-8H2,(H2,10,12,13)
InChIKeyVNXLGQAEUNWWCT-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds6

About 3-(cyclopentylmethylamino)propane-1-sulfonamide

3-(cyclopentylmethylamino)propane-1-sulfonamide (PubChem CID 62071058) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)propane-1-sulfonamide
PubChem CID62071058
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(cyclopentylmethylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNCC1CCCC1
InChIInChI=1S/C9H20N2O2S/c10-14(12,13)7-3-6-11-8-9-4-1-2-5-9/h9,11H,1-8H2,(H2,10,12,13)
InChIKeyVNXLGQAEUNWWCT-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(Aminomethyl)cyclopentyl)-1lambda6,2-thiazolidine-1,1-dione
CID 43619968
1Lambda6-thia-2,9-diazacycloundecane-1,1-dione
CID 137952389
2-(Cyclohexylmethylazaniumyl)ethanesulfonate
CID 152757612
1-(butylsulfonyl)-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910159
1-Propylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 110197847
1-cyclopentyl-N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 131892769
2-(2-(Piperidin-4-yl)ethyl)isothiazolidine 1,1-dioxide
CID 20434876
(2R)-3-(cyclopentylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 58691850
(2S)-3-(cyclopentylmethylamino)-2-fluoropropane-1-sulfonic acid
CID 58691867
3-(Cyclopentylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 58691929
3-(Cyclopentylmethylamino)-2,2-difluoropropane-1-sulfonic acid
CID 58691938
(2S)-3-(cyclopentylmethylamino)-2-fluoropropane-1-sulfinic acid
CID 58691939

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopentylmethylamino)propane-1-sulfonamide (CID 62071058) is 3-(cyclopentylmethylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopentylmethylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopentylmethylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)propane-1-sulfonamide?
The InChIKey is VNXLGQAEUNWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c10-14(12,13)7-3-6-11-8-9-4-1-2-5-9/h9,11H,1-8H2,(H2,10,12,13).
What are the key properties of 3-(cyclopentylmethylamino)propane-1-sulfonamide?
3-(cyclopentylmethylamino)propane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)propane-1-sulfonamide is sourced from PubChem (CID 62071058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).