N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide

C12H21N3O2S — CID 139492880

IUPACN-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-9-14-18(16,17)12-6-4-11(5-7-12)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3/t10-/m1/s1
InChIKeyFSSFEDLSYYKIFJ-SNVBAGLBSA-N
MW271.39 g/mol
LogP0.77
Rot. Bonds6

About N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide

N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide (PubChem CID 139492880) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
PubChem CID139492880
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-9-14-18(16,17)12-6-4-11(5-7-12)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3/t10-/m1/s1
InChIKeyFSSFEDLSYYKIFJ-SNVBAGLBSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-[(2S)-3-amino-2-methylpropyl]-4-(dimethylamino)benzenesulfonamide
CID 139490777
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-(4-aminopentyl)benzenesulfonamide
CID 106125730
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
(2S)-2-amino-3-[[4-(dimethylamino)phenyl]sulfonylamino]propanoic acid
CID 67154200
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide?
The IUPAC name of N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide (CID 139492880) is N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide.
What is the SMILES notation for N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide?
The canonical SMILES for N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide is C[C@@H](N)CCNS(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide?
The InChIKey is FSSFEDLSYYKIFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(13)8-9-14-18(16,17)12-6-4-11(5-7-12)15(2)3/h4-7,10,14H,8-9,13H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide?
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide is sourced from PubChem (CID 139492880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).