2-(6-aminohexylamino)-N-methylbenzenesulfonamide

C13H23N3O2S — CID 107845260

IUPAC2-(6-aminohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCCCCCN
InChIInChI=1S/C13H23N3O2S/c1-15-19(17,18)13-9-5-4-8-12(13)16-11-7-3-2-6-10-14/h4-5,8-9,15-16H,2-3,6-7,10-11,14H2,1H3
InChIKeyRQHYCTZQVOMYTR-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.53
Rot. Bonds9

About 2-(6-aminohexylamino)-N-methylbenzenesulfonamide

2-(6-aminohexylamino)-N-methylbenzenesulfonamide (PubChem CID 107845260) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(6-aminohexylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(6-aminohexylamino)-N-methylbenzenesulfonamide
PubChem CID107845260
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(6-aminohexylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCCCCCN
InChIInChI=1S/C13H23N3O2S/c1-15-19(17,18)13-9-5-4-8-12(13)16-11-7-3-2-6-10-14/h4-5,8-9,15-16H,2-3,6-7,10-11,14H2,1H3
InChIKeyRQHYCTZQVOMYTR-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(difluoromethylsulfonyl)phenyl]hexane-1,6-diamine
CID 107844931
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62639985
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(6-aminohexylamino)-N-methylbenzenesulfonamide (CID 107845260) is 2-(6-aminohexylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(6-aminohexylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(6-aminohexylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCCCCCCN.
What is the InChIKey of 2-(6-aminohexylamino)-N-methylbenzenesulfonamide?
The InChIKey is RQHYCTZQVOMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-15-19(17,18)13-9-5-4-8-12(13)16-11-7-3-2-6-10-14/h4-5,8-9,15-16H,2-3,6-7,10-11,14H2,1H3.
What are the key properties of 2-(6-aminohexylamino)-N-methylbenzenesulfonamide?
2-(6-aminohexylamino)-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107845260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).