4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide

C16H28N2O2S — CID 106996805

IUPAC4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H28N2O2S/c1-12(2)6-5-7-14(4)18-21(19,20)16-9-8-15(11-17)10-13(16)3/h8-10,12,14,18H,5-7,11,17H2,1-4H3
InChIKeyIQBHSADYOVIZPG-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.95
Rot. Bonds8

About 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 106996805) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID106996805
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H28N2O2S/c1-12(2)6-5-7-14(4)18-21(19,20)16-9-8-15(11-17)10-13(16)3/h8-10,12,14,18H,5-7,11,17H2,1-4H3
InChIKeyIQBHSADYOVIZPG-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61110431
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
2-amino-4-fluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61108154
4-(aminomethyl)-N-(1-cyclohexylethyl)-2-methylbenzenesulfonamide
CID 106996908
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
3-amino-2,4-difluoro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 107343293
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 106996805) is 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NC(C)CCCC(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is IQBHSADYOVIZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-12(2)6-5-7-14(4)18-21(19,20)16-9-8-15(11-17)10-13(16)3/h8-10,12,14,18H,5-7,11,17H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106996805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).