N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide

C9H20N2O2S — CID 28940538

IUPACN-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8,10H2,1H3
InChIKeyXFRYHTIGIMAQTQ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide (PubChem CID 28940538) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
PubChem CID28940538
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8,10H2,1H3
InChIKeyXFRYHTIGIMAQTQ-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[1-(aminomethyl)cyclopentyl]-3-cyanopropane-1-sulfonamide
CID 86780680
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067789
N-[1-(aminomethyl)cyclopentyl]-3-fluoropropane-1-sulfonamide
CID 86780678
N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
CID 119981132
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoropropane-1-sulfonamide
CID 119985002
N-(2-amino-2-ethylbutyl)-3-fluoropropane-1-sulfonamide
CID 119989710
N-(2-amino-1-cyclopentylethyl)-3-fluoropropane-1-sulfonamide
CID 120584859
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
CID 120875154
[1-(Aminomethyl)-3,3-dimethylcyclopentyl]methanesulfonamide
CID 21888236
[(1R)-1-(aminomethyl)-3,3-dimethylcyclopentyl]methanesulfonamide
CID 23563056

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide (CID 28940538) is N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide?
The InChIKey is XFRYHTIGIMAQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-7-14(12,13)11-9(8-10)5-3-4-6-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]propane-1-sulfonamide is sourced from PubChem (CID 28940538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).