3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide

C12H24N2O3S2 — CID 106001719

IUPAC3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C12H24N2O3S2/c1-18-12-5-4-11(7-12)13-19(16,17)14-6-2-3-10(8-14)9-15/h10-13,15H,2-9H2,1H3
InChIKeyRUHUBMJNJGPTSC-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.81
Rot. Bonds5

About 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide

3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide (PubChem CID 106001719) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
PubChem CID106001719
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C12H24N2O3S2/c1-18-12-5-4-11(7-12)13-19(16,17)14-6-2-3-10(8-14)9-15/h10-13,15H,2-9H2,1H3
InChIKeyRUHUBMJNJGPTSC-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 114552073
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551858
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-cyclopentyl-3-(ethoxymethyl)piperidine-1-sulfonamide
CID 110610368
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
N-[2-[ethyl(propyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014030

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide (CID 106001719) is 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide is CSC1CCC(NS(=O)(=O)N2CCCC(CO)C2)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
The InChIKey is RUHUBMJNJGPTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-18-12-5-4-11(7-12)13-19(16,17)14-6-2-3-10(8-14)9-15/h10-13,15H,2-9H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide?
3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide has a molecular weight of 308.47 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106001719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).