(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide

C13H24N2O2S — CID 95271447

IUPAC(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C13H24N2O2S/c1-10-6-4-5-9-15(10)12(16)7-8-14-13(17)11(2)18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyDBJLVIKMWKMPAO-MNOVXSKESA-N
MW272.41 g/mol
LogP1.65
Rot. Bonds5

About (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide

(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide (PubChem CID 95271447) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
PubChem CID95271447
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
SMILESCS[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C13H24N2O2S/c1-10-6-4-5-9-15(10)12(16)7-8-14-13(17)11(2)18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyDBJLVIKMWKMPAO-MNOVXSKESA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95295293
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111001860
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-cyclopentyl-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110991497
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95906195
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
3-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 99851423
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide (CID 95271447) is (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide is CS[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide?
The InChIKey is DBJLVIKMWKMPAO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-10-6-4-5-9-15(10)12(16)7-8-14-13(17)11(2)18-3/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide?
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide has a molecular weight of 272.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 95271447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).