N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide

C9H20N2O2S — CID 121357655

IUPACN-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide
SMILESCC(C)N[C@@H]1CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-7(2)10-8-4-5-9(6-8)11-14(3,12)13/h7-11H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyBCSTVKZACHHMDK-BDAKNGLRSA-N
MW220.34 g/mol
LogP0.45
Rot. Bonds4

About N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide

N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide (PubChem CID 121357655) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide
PubChem CID121357655
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide
SMILESCC(C)N[C@@H]1CC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-7(2)10-8-4-5-9(6-8)11-14(3,12)13/h7-11H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyBCSTVKZACHHMDK-BDAKNGLRSA-N
XLogP0.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
N-cycloheptylmethanesulfonamide
CID 3113423
N-[4-[(propan-2-ylamino)methyl]cyclohexyl]methanesulfonamide
CID 59868028
N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
CID 123742390
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
N-[3-(aminomethyl)cyclopentyl]methanesulfonamide
CID 130922064
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
N-[3-(cyanomethyl)cyclopentyl]methanesulfonamide
CID 131186425

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide (CID 121357655) is N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide is CC(C)N[C@@H]1CC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide?
The InChIKey is BCSTVKZACHHMDK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)10-8-4-5-9(6-8)11-14(3,12)13/h7-11H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide?
N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(propan-2-ylamino)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 121357655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).