4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide

C15H24N2OS — CID 64710913

IUPAC4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)Sc1cc(C)ccc1C)C(N)=O
InChIInChI=1S/C15H24N2OS/c1-10-6-7-11(2)13(8-10)19-12(3)9-15(4,17-5)14(16)18/h6-8,12,17H,9H2,1-5H3,(H2,16,18)
InChIKeyAZJBMEQPJRAVQE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.64
Rot. Bonds6

About 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide

4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide (PubChem CID 64710913) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
PubChem CID64710913
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)Sc1cc(C)ccc1C)C(N)=O
InChIInChI=1S/C15H24N2OS/c1-10-6-7-11(2)13(8-10)19-12(3)9-15(4,17-5)14(16)18/h6-8,12,17H,9H2,1-5H3,(H2,16,18)
InChIKeyAZJBMEQPJRAVQE-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709114
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
4-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709700
ethyl 4-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64709541
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-methyl-2-(methylamino)-4-(1,3-oxazol-2-ylsulfanyl)pentanamide
CID 106925063
4-(3-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)pentanamide
CID 107771849
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
ethyl 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64703913
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide (CID 64710913) is 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)Sc1cc(C)ccc1C)C(N)=O.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
The InChIKey is AZJBMEQPJRAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-6-7-11(2)13(8-10)19-12(3)9-15(4,17-5)14(16)18/h6-8,12,17H,9H2,1-5H3,(H2,16,18).
What are the key properties of 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide?
4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide has a molecular weight of 280.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64710913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).