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

C9H19NO2S2 — CID 103697967

IUPACN-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C9H19NO2S2/c1-3-6-14(11,12)10-8-4-5-9(7-8)13-2/h8-10H,3-7H2,1-2H3
InChIKeyJZYHISAESCMUJW-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.60
Rot. Bonds5

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

N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide (PubChem CID 103697967) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
PubChem CID103697967
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC NameN-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C9H19NO2S2/c1-3-6-14(11,12)10-8-4-5-9(7-8)13-2/h8-10H,3-7H2,1-2H3
InChIKeyJZYHISAESCMUJW-UHFFFAOYSA-N
XLogP1.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
CID 114123736
1-[4-(hydroxymethyl)phenyl]-N-(3-methylsulfanylcyclopentyl)methanesulfonamide
CID 106001768
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114123735
1-amino-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092181
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
CID 103850413
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
CID 114122691
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
N-methyl-3-methylsulfanylcyclopentan-1-amine
CID 54595737
N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
CID 115905990

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide (CID 103697967) is N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(SC)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide?
The InChIKey is JZYHISAESCMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-3-6-14(11,12)10-8-4-5-9(7-8)13-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide?
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide has a molecular weight of 237.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide is sourced from PubChem (CID 103697967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).