N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide

C12H24N2O2S2 — CID 114123736

IUPACN-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C12H24N2O2S2/c1-17-12-6-5-10(8-12)14-18(15,16)9-11-4-2-3-7-13-11/h10-14H,2-9H2,1H3
InChIKeyZNGKWWYKPNEBBA-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.33
Rot. Bonds5

About N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide

N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 114123736) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID114123736
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCSC1CCC(NS(=O)(=O)CC2CCCCN2)C1
InChIInChI=1S/C12H24N2O2S2/c1-17-12-6-5-10(8-12)14-18(15,16)9-11-4-2-3-7-13-11/h10-14H,2-9H2,1H3
InChIKeyZNGKWWYKPNEBBA-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973820
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973665
N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
1-(azetidin-2-yl)-N-cyclohexylmethanesulfonamide
CID 115071232
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
1-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
CID 62318142
N-(2,2-dimethylcyclohexyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79878932
3-(cyclopropylamino)-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 106091366
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
1-cyano-N-(3-methylsulfanylcyclohexyl)methanesulfonamide
CID 103850413

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide (CID 114123736) is N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide is CSC1CCC(NS(=O)(=O)CC2CCCCN2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is ZNGKWWYKPNEBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-17-12-6-5-10(8-12)14-18(15,16)9-11-4-2-3-7-13-11/h10-14H,2-9H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide?
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 114123736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).