3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide

C13H26N2OS — CID 114084303

IUPAC3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSC(C)CCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H26N2OS/c1-10(17-4)6-9-15-12(16)11-13(2,3)7-5-8-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyNAIRVBGOFDCOCL-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.02
Rot. Bonds5

About 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide

3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide (PubChem CID 114084303) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
PubChem CID114084303
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
SMILESCSC(C)CCNC(=O)C1NCCCC1(C)C
InChIInChI=1S/C13H26N2OS/c1-10(17-4)6-9-15-12(16)11-13(2,3)7-5-8-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyNAIRVBGOFDCOCL-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
CID 114084318
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
CID 106221816
N-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide (CID 114084303) is 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide is CSC(C)CCNC(=O)C1NCCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
The InChIKey is NAIRVBGOFDCOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(17-4)6-9-15-12(16)11-13(2,3)7-5-8-14-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide?
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 114084303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).