2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide

C12H21N3O2S — CID 63251442

IUPAC2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
SMILESCC(N)CCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-9-14-11-6-4-5-7-12(11)18(16,17)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyZTNAJEWOCXBHOP-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.09
Rot. Bonds6

About 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide

2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 63251442) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID63251442
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide
SMILESCC(N)CCNc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-9-14-11-6-4-5-7-12(11)18(16,17)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyZTNAJEWOCXBHOP-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N,N-dimethyl-2-(octylamino)benzenesulfonamide
CID 115568876
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
2-(2-cyclopentylethylamino)-N,N-dimethylbenzenesulfonamide
CID 60920166
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 55084058
2-(hexan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 62119140
2-(but-3-yn-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 114417934
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzenesulfonamide
CID 62152581
2-(3-aminobutylamino)benzonitrile
CID 63251194

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide (CID 63251442) is 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide is CC(N)CCNc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZTNAJEWOCXBHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(13)8-9-14-11-6-4-5-7-12(11)18(16,17)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide?
2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63251442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).