4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide

C16H24N2OS — CID 64709096

IUPAC4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(17)19)18-14-8-9-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19)
InChIKeyKQWGIVOBOFMNSA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.69
Rot. Bonds8

About 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide

4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide (PubChem CID 64709096) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide
PubChem CID64709096
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(17)19)18-14-8-9-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19)
InChIKeyKQWGIVOBOFMNSA-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710846
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
2-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)-2-methylpropanamide
CID 62230821
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
CID 114988664
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
2-benzyl-2-(cyclopropylamino)butanamide
CID 79007963
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
2-(cyclopropylamino)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 63465996
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The IUPAC name of 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide (CID 64709096) is 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide.
What is the SMILES notation for 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The canonical SMILES for 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1.
What is the InChIKey of 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
The InChIKey is KQWGIVOBOFMNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(20-11-13-6-4-3-5-7-13)10-16(2,15(17)19)18-14-8-9-14/h3-7,12,14,18H,8-11H2,1-2H3,(H2,17,19).
What are the key properties of 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide?
4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide has a molecular weight of 292.45 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide is sourced from PubChem (CID 64709096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).