N-(3-methylsulfanylbutyl)piperidine-4-carboxamide

C11H22N2OS — CID 115734040

IUPACN-(3-methylsulfanylbutyl)piperidine-4-carboxamide
SMILESCSC(C)CCNC(=O)C1CCNCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)3-8-13-11(14)10-4-6-12-7-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyTYGPLTGHFPGWNM-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.24
Rot. Bonds5

About N-(3-methylsulfanylbutyl)piperidine-4-carboxamide

N-(3-methylsulfanylbutyl)piperidine-4-carboxamide (PubChem CID 115734040) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)piperidine-4-carboxamide
PubChem CID115734040
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(3-methylsulfanylbutyl)piperidine-4-carboxamide
SMILESCSC(C)CCNC(=O)C1CCNCC1
InChIInChI=1S/C11H22N2OS/c1-9(15-2)3-8-13-11(14)10-4-6-12-7-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyTYGPLTGHFPGWNM-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
(2S)-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103810225
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 54901063
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
N-[(E)-pent-3-enyl]piperidine-4-carboxamide
CID 115976386

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylsulfanylbutyl)piperidine-4-carboxamide (CID 115734040) is N-(3-methylsulfanylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylbutyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfanylbutyl)piperidine-4-carboxamide is CSC(C)CCNC(=O)C1CCNCC1.
What is the InChIKey of N-(3-methylsulfanylbutyl)piperidine-4-carboxamide?
The InChIKey is TYGPLTGHFPGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(15-2)3-8-13-11(14)10-4-6-12-7-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylsulfanylbutyl)piperidine-4-carboxamide?
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 115734040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).