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

C12H24N2O2S — CID 106161649

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-9(10(8-15)17-3)14-11(16)12(2)4-6-13-7-5-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyPRWFHTOYFHNHRN-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.60
Rot. Bonds5

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 106161649) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
PubChem CID106161649
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C12H24N2O2S/c1-9(10(8-15)17-3)14-11(16)12(2)4-6-13-7-5-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyPRWFHTOYFHNHRN-UHFFFAOYSA-N
XLogP0.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012111
N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
CID 107221454
1-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 106161442
4-methyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 63122377
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
CID 106161513
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106161497
N-but-3-yn-2-yl-4-methylpiperidine-4-carboxamide
CID 114417108
2-[(4-methylpiperidine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63122631
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
1-(2,2-dimethylcyclopentyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111840878

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide (CID 106161649) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide is CSC(CO)C(C)NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is PRWFHTOYFHNHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(10(8-15)17-3)14-11(16)12(2)4-6-13-7-5-12/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106161649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).