4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide

C10H22N2OS — CID 115740492

IUPAC4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
SMILESCSCC(C)NC(=O)CCC(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-4)12-9(13)5-6-10(2,3)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeySCGDXFPESMJPAO-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.37
Rot. Bonds6

About 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide

4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide (PubChem CID 115740492) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
PubChem CID115740492
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
SMILESCSCC(C)NC(=O)CCC(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-8(7-14-4)12-9(13)5-6-10(2,3)11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeySCGDXFPESMJPAO-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
CID 107219055
6-[(4-amino-4-methylpentanoyl)amino]-2-methylheptanoic acid
CID 65286229
6-amino-N-(1-ethylsulfanylpropan-2-yl)-4,4-dimethylhexanamide
CID 113499092
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
(2S)-2-[(4-amino-4-methylpentanoyl)amino]-4-methyl-4-phosphanylsulfanylpentanoic acid
CID 167251315
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 115734652
4-amino-4-methylpentanoic acid
CID 158438218

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The IUPAC name of 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide (CID 115740492) is 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide.
What is the SMILES notation for 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The canonical SMILES for 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide is CSCC(C)NC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
The InChIKey is SCGDXFPESMJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-8(7-14-4)12-9(13)5-6-10(2,3)11/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide?
4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide has a molecular weight of 218.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide is sourced from PubChem (CID 115740492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).