N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide

C12H24N2O2S — CID 110012454

IUPACN-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCSCC(CCO)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyPUGHCSBQJMEMNL-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.61
Rot. Bonds6

About N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide

N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide (PubChem CID 110012454) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
PubChem CID110012454
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCSCC(CCO)NC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H24N2O2S/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyPUGHCSBQJMEMNL-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
N-hexan-3-yl-3-methylpiperidine-3-carboxamide
CID 63134940
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457
3-methylpiperidine-3-carbohydrazide
CID 63991806
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63141298

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide (CID 110012454) is N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide is CSCC(CCO)NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide?
The InChIKey is PUGHCSBQJMEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(5-3-6-13-9-12)11(16)14-10(4-7-15)8-17-2/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide?
N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110012454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).