3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide

C13H24N2OS — CID 103822117

IUPAC3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
SMILESCSC1CCC(NC(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C13H24N2OS/c1-13(6-3-7-14-9-13)12(16)15-10-4-5-11(8-10)17-2/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyZWQXYQZFGFABNT-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide

3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide (PubChem CID 103822117) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
PubChem CID103822117
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide
SMILESCSC1CCC(NC(=O)C2(C)CCCNC2)C1
InChIInChI=1S/C13H24N2OS/c1-13(6-3-7-14-9-13)12(16)15-10-4-5-11(8-10)17-2/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyZWQXYQZFGFABNT-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-4-carboxamide
CID 103840375
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
3-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 63130240
1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 114123290
2-methyl-N-(3-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 113269284
3-methyl-N-(1-methylpyrrolidin-3-yl)piperidine-3-carboxamide
CID 63135348
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114123111
3-methylpiperidine-3-carbohydrazide
CID 63991806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide (CID 103822117) is 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide is CSC1CCC(NC(=O)C2(C)CCCNC2)C1.
What is the InChIKey of 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide?
The InChIKey is ZWQXYQZFGFABNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-13(6-3-7-14-9-13)12(16)15-10-4-5-11(8-10)17-2/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide?
3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfanylcyclopentyl)piperidine-3-carboxamide is sourced from PubChem (CID 103822117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).