4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide

C16H28N2O2S — CID 61470980

IUPAC4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C16H28N2O2S/c1-12(2)6-5-7-13(3)18-21(19,20)16-10-8-15(9-11-16)14(4)17/h8-14,18H,5-7,17H2,1-4H3
InChIKeyBLDWDLQLUSDUSM-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.20
Rot. Bonds8

About 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide

4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61470980) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61470980
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C16H28N2O2S/c1-12(2)6-5-7-13(3)18-21(19,20)16-10-8-15(9-11-16)14(4)17/h8-14,18H,5-7,17H2,1-4H3
InChIKeyBLDWDLQLUSDUSM-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61470980) is 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is BLDWDLQLUSDUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-12(2)6-5-7-13(3)18-21(19,20)16-10-8-15(9-11-16)14(4)17/h8-14,18H,5-7,17H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61470980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).