3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide

C11H19N3O4S2 — CID 65193230

IUPAC3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O4S2/c1-2-4-9(8-12)14-20(17,18)11-6-3-5-10(7-11)19(13,15)16/h3,5-7,9,14H,2,4,8,12H2,1H3,(H2,13,15,16)
InChIKeyAPIWRCAKPJGZDU-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.26
Rot. Bonds7

About 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide

3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide (PubChem CID 65193230) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
PubChem CID65193230
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O4S2/c1-2-4-9(8-12)14-20(17,18)11-6-3-5-10(7-11)19(13,15)16/h3,5-7,9,14H,2,4,8,12H2,1H3,(H2,13,15,16)
InChIKeyAPIWRCAKPJGZDU-UHFFFAOYSA-N
XLogP-0.26
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 65193019
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-N-pent-4-en-2-ylbenzene-1,3-disulfonamide
CID 115632091
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide (CID 65193230) is 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide is CCCC(CN)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide?
The InChIKey is APIWRCAKPJGZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-2-4-9(8-12)14-20(17,18)11-6-3-5-10(7-11)19(13,15)16/h3,5-7,9,14H,2,4,8,12H2,1H3,(H2,13,15,16).
What are the key properties of 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide?
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 65193230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).