(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide

C15H24N2OS — CID 95628271

IUPAC(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
SMILESCSC[C@@H](C)C(=O)N[C@@H](c1ncccc1C)C(C)C
InChIInChI=1S/C15H24N2OS/c1-10(2)13(14-11(3)7-6-8-16-14)17-15(18)12(4)9-19-5/h6-8,10,12-13H,9H2,1-5H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyXNQVUBAZLURJFZ-CHWSQXEVSA-N
MW280.44 g/mol
LogP3.20
Rot. Bonds6

About (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide

(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide (PubChem CID 95628271) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
PubChem CID95628271
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
SMILESCSC[C@@H](C)C(=O)N[C@@H](c1ncccc1C)C(C)C
InChIInChI=1S/C15H24N2OS/c1-10(2)13(14-11(3)7-6-8-16-14)17-15(18)12(4)9-19-5/h6-8,10,12-13H,9H2,1-5H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyXNQVUBAZLURJFZ-CHWSQXEVSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
3-amino-2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119885548
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414440
N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(2-nitrophenyl)acetamide
CID 96550277
1-(2-ethyl-2-hydroxybutyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414441
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
CID 96550280
cis-methyl (1S,2R)-2-[[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
CID 96550279

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide?
The IUPAC name of (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide (CID 95628271) is (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide?
The canonical SMILES for (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide is CSC[C@@H](C)C(=O)N[C@@H](c1ncccc1C)C(C)C.
What is the InChIKey of (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide?
The InChIKey is XNQVUBAZLURJFZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)13(14-11(3)7-6-8-16-14)17-15(18)12(4)9-19-5/h6-8,10,12-13H,9H2,1-5H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide?
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide has a molecular weight of 280.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 95628271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).