1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide

C9H20N2O2S2 — CID 106092181

IUPAC1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)C(C)CN)C1
InChIInChI=1S/C9H20N2O2S2/c1-7(6-10)15(12,13)11-8-3-4-9(5-8)14-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyHBBPSHZQZOAXLU-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.54
Rot. Bonds5

About 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide

1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide (PubChem CID 106092181) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
PubChem CID106092181
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC Name1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)C(C)CN)C1
InChIInChI=1S/C9H20N2O2S2/c1-7(6-10)15(12,13)11-8-3-4-9(5-8)14-2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyHBBPSHZQZOAXLU-UHFFFAOYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
CID 114123736
1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 113338251
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
CID 114122704
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
CID 103827747
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001768

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide (CID 106092181) is 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide is CSC1CCC(NS(=O)(=O)C(C)CN)C1.
What is the InChIKey of 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide?
The InChIKey is HBBPSHZQZOAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-7(6-10)15(12,13)11-8-3-4-9(5-8)14-2/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide?
1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide is sourced from PubChem (CID 106092181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).