3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide

C12H18N2O3S — CID 64683356

IUPAC3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,13)8-11(15)14-9-4-6-10(7-5-9)18(3,16)17/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyPSQWDPSUPPBPBT-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide

3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide (PubChem CID 64683356) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
PubChem CID64683356
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,13)8-11(15)14-9-4-6-10(7-5-9)18(3,16)17/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyPSQWDPSUPPBPBT-UHFFFAOYSA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
2-amino-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 61264590
6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
CID 65293355
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
3-amino-3-methyl-N-(4-propan-2-ylsulfanylphenyl)butanamide
CID 115154849
4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64683641
2-methyl-2-(methylamino)-N-(4-methylsulfonylphenyl)propanamide
CID 55121970

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide (CID 64683356) is 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide is CC(C)(N)CC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide?
The InChIKey is PSQWDPSUPPBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,13)8-11(15)14-9-4-6-10(7-5-9)18(3,16)17/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide?
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 64683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).