2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide

C20H32N2OS — CID 96542414

IUPAC2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1
InChIInChI=1S/C20H32N2OS/c1-16(2)20(23)21-14-18-8-7-12-22(15-18)17(3)11-13-24-19-9-5-4-6-10-19/h4-6,9-10,16-18H,7-8,11-15H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyGKVCLBCFBQHXGF-ZWKOTPCHSA-N
MW348.56 g/mol
LogP4.04
Rot. Bonds8

About 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide

2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide (PubChem CID 96542414) has the molecular formula C20H32N2OS and a molecular weight of 348.56 g/mol. Its IUPAC name is 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
PubChem CID96542414
Molecular FormulaC20H32N2OS
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC Name2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1
InChIInChI=1S/C20H32N2OS/c1-16(2)20(23)21-14-18-8-7-12-22(15-18)17(3)11-13-24-19-9-5-4-6-10-19/h4-6,9-10,16-18H,7-8,11-15H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyGKVCLBCFBQHXGF-ZWKOTPCHSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
CID 71850304
[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 97237730
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
CID 97236505
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
2-(2-phenoxyethoxy)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 94800055
N-[[(3S)-1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95280258
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide (CID 96542414) is 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide is CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)CCSc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide?
The InChIKey is GKVCLBCFBQHXGF-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H32N2OS/c1-16(2)20(23)21-14-18-8-7-12-22(15-18)17(3)11-13-24-19-9-5-4-6-10-19/h4-6,9-10,16-18H,7-8,11-15H2,1-3H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide?
2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide has a molecular weight of 348.56 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 96542414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).