6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide

C15H24N2O3S — CID 65293355

IUPAC6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,10-11-16)9-8-14(18)17-12-4-6-13(7-5-12)21(3,19)20/h4-7H,8-11,16H2,1-3H3,(H,17,18)
InChIKeyGYROADGMLVGFIN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.18
Rot. Bonds7

About 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide

6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide (PubChem CID 65293355) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
PubChem CID65293355
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,10-11-16)9-8-14(18)17-12-4-6-13(7-5-12)21(3,19)20/h4-7H,8-11,16H2,1-3H3,(H,17,18)
InChIKeyGYROADGMLVGFIN-UHFFFAOYSA-N
XLogP2.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
5-[(6-amino-4,4-dimethylhexanoyl)amino]-2-chlorobenzoic acid
CID 65290954
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
2-amino-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 61264590
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
CID 82867638
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide (CID 65293355) is 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide is CC(C)(CCN)CCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide?
The InChIKey is GYROADGMLVGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,10-11-16)9-8-14(18)17-12-4-6-13(7-5-12)21(3,19)20/h4-7H,8-11,16H2,1-3H3,(H,17,18).
What are the key properties of 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide?
6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide has a molecular weight of 312.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide is sourced from PubChem (CID 65293355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).