3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide

C14H22N2OS — CID 115154849

IUPAC3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
SMILESCC(C)Sc1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyMVERQEBQVBXLIB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide

3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide (PubChem CID 115154849) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
PubChem CID115154849
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
SMILESCC(C)Sc1ccc(NC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyMVERQEBQVBXLIB-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-chloro-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115162345
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
3,3-dimethyl-N-[4-[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]sulfanylphenyl]butanamide
CID 22776030
2-(4-propan-2-ylsulfanylanilino)acetic acid
CID 82494664
1-propan-2-yl-3-(4-propan-2-ylsulfanylphenyl)urea
CID 110774685

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide (CID 115154849) is 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide is CC(C)Sc1ccc(NC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide?
The InChIKey is MVERQEBQVBXLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)18-12-7-5-11(6-8-12)16-13(17)9-14(3,4)15/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide?
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide has a molecular weight of 266.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide is sourced from PubChem (CID 115154849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).