(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide

C15H24N2OS — CID 56877658

IUPAC(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1cccc(CN(C)C(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)8-14(16)15(18)17(3)10-12-6-5-7-13(9-12)19-4/h5-7,9,11,14H,8,10,16H2,1-4H3/t14-/m1/s1
InChIKeyXOGCNRWQYMKPCT-CQSZACIVSA-N
MW280.44 g/mol
LogP2.74
Rot. Bonds6

About (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide

(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide (PubChem CID 56877658) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
PubChem CID56877658
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
SMILESCSc1cccc(CN(C)C(=O)[C@H](N)CC(C)C)c1
InChIInChI=1S/C15H24N2OS/c1-11(2)8-14(16)15(18)17(3)10-12-6-5-7-13(9-12)19-4/h5-7,9,11,14H,8,10,16H2,1-4H3/t14-/m1/s1
InChIKeyXOGCNRWQYMKPCT-CQSZACIVSA-N
XLogP2.74
TPSA46.33 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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
3-[(dimethylamino)methyl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]benzamide
CID 74246309
(2S)-2-amino-N-methyl-N-[(3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 61165636
(2S)-2-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,4-dimethylpentanamide
CID 119766907
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide (CID 56877658) is (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide is CSc1cccc(CN(C)C(=O)[C@H](N)CC(C)C)c1.
What is the InChIKey of (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide?
The InChIKey is XOGCNRWQYMKPCT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-11(2)8-14(16)15(18)17(3)10-12-6-5-7-13(9-12)19-4/h5-7,9,11,14H,8,10,16H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide?
(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide is sourced from PubChem (CID 56877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).