N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide

C16H28N2O2S — CID 80697930

IUPACN-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-6-7-14(12-17)18-21(19,20)15-10-8-13(9-11-15)16(2,3)4/h8-11,14,18H,5-7,12,17H2,1-4H3
InChIKeyJJOJQURYYJUELJ-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.78
Rot. Bonds7

About N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide

N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide (PubChem CID 80697930) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
PubChem CID80697930
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-6-7-14(12-17)18-21(19,20)15-10-8-13(9-11-15)16(2,3)4/h8-11,14,18H,5-7,12,17H2,1-4H3
InChIKeyJJOJQURYYJUELJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119993302
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 119992937

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide (CID 80697930) is N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide?
The InChIKey is JJOJQURYYJUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-6-7-14(12-17)18-21(19,20)15-10-8-13(9-11-15)16(2,3)4/h8-11,14,18H,5-7,12,17H2,1-4H3.
What are the key properties of N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide?
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 80697930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).