N-[(3R)-3-aminobutyl]azepane-1-sulfonamide

C10H23N3O2S — CID 95037628

IUPACN-[(3R)-3-aminobutyl]azepane-1-sulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(11)6-7-12-16(14,15)13-8-4-2-3-5-9-13/h10,12H,2-9,11H2,1H3/t10-/m1/s1
InChIKeyGDMPCAVZZHZAKN-SNVBAGLBSA-N
MW249.38 g/mol
LogP0.43
Rot. Bonds5

About N-[(3R)-3-aminobutyl]azepane-1-sulfonamide

N-[(3R)-3-aminobutyl]azepane-1-sulfonamide (PubChem CID 95037628) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(3R)-3-aminobutyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-aminobutyl]azepane-1-sulfonamide
PubChem CID95037628
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-[(3R)-3-aminobutyl]azepane-1-sulfonamide
SMILESC[C@@H](N)CCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-10(11)6-7-12-16(14,15)13-8-4-2-3-5-9-13/h10,12H,2-9,11H2,1H3/t10-/m1/s1
InChIKeyGDMPCAVZZHZAKN-SNVBAGLBSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
N-(3-aminobutyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 55167597
2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-aminobutyl]azepane-1-sulfonamide?
The IUPAC name of N-[(3R)-3-aminobutyl]azepane-1-sulfonamide (CID 95037628) is N-[(3R)-3-aminobutyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-3-aminobutyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(3R)-3-aminobutyl]azepane-1-sulfonamide is C[C@@H](N)CCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(3R)-3-aminobutyl]azepane-1-sulfonamide?
The InChIKey is GDMPCAVZZHZAKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(11)6-7-12-16(14,15)13-8-4-2-3-5-9-13/h10,12H,2-9,11H2,1H3/t10-/m1/s1.
What are the key properties of N-[(3R)-3-aminobutyl]azepane-1-sulfonamide?
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-aminobutyl]azepane-1-sulfonamide is sourced from PubChem (CID 95037628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).