N-(3-aminopropyl)azepane-1-sulfonamide

C9H21N3O2S — CID 28785017

IUPACN-(3-aminopropyl)azepane-1-sulfonamide
SMILESNCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C9H21N3O2S/c10-6-5-7-11-15(13,14)12-8-3-1-2-4-9-12/h11H,1-10H2
InChIKeyPVOIRQOMDFTTMT-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.05
Rot. Bonds5

About N-(3-aminopropyl)azepane-1-sulfonamide

N-(3-aminopropyl)azepane-1-sulfonamide (PubChem CID 28785017) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-aminopropyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)azepane-1-sulfonamide
PubChem CID28785017
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(3-aminopropyl)azepane-1-sulfonamide
SMILESNCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C9H21N3O2S/c10-6-5-7-11-15(13,14)12-8-3-1-2-4-9-12/h11H,1-10H2
InChIKeyPVOIRQOMDFTTMT-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(3-cyanopropyl)azepane-1-sulfonamide
CID 62665686
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
CID 81357870
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
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-(3-aminopropyl)azepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)azepane-1-sulfonamide (CID 28785017) is N-(3-aminopropyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)azepane-1-sulfonamide is NCCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)azepane-1-sulfonamide?
The InChIKey is PVOIRQOMDFTTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c10-6-5-7-11-15(13,14)12-8-3-1-2-4-9-12/h11H,1-10H2.
What are the key properties of N-(3-aminopropyl)azepane-1-sulfonamide?
N-(3-aminopropyl)azepane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)azepane-1-sulfonamide is sourced from PubChem (CID 28785017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).