N-[2-(propylamino)ethyl]azepane-1-sulfonamide

C11H25N3O2S — CID 62665322

IUPACN-[2-(propylamino)ethyl]azepane-1-sulfonamide
SMILESCCCNCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-2-7-12-8-9-13-17(15,16)14-10-5-3-4-6-11-14/h12-13H,2-11H2,1H3
InChIKeyTYCBNWKZGQOEPR-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.70
Rot. Bonds7

About N-[2-(propylamino)ethyl]azepane-1-sulfonamide

N-[2-(propylamino)ethyl]azepane-1-sulfonamide (PubChem CID 62665322) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]azepane-1-sulfonamide
PubChem CID62665322
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[2-(propylamino)ethyl]azepane-1-sulfonamide
SMILESCCCNCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-2-7-12-8-9-13-17(15,16)14-10-5-3-4-6-11-14/h12-13H,2-11H2,1H3
InChIKeyTYCBNWKZGQOEPR-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.70
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-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-ethylazepane-1-sulfonamide
CID 43213421
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
CID 81357870
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-[(E)-pent-3-enyl]azepane-1-sulfonamide
CID 115628649

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]azepane-1-sulfonamide?
The IUPAC name of N-[2-(propylamino)ethyl]azepane-1-sulfonamide (CID 62665322) is N-[2-(propylamino)ethyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]azepane-1-sulfonamide?
The canonical SMILES for N-[2-(propylamino)ethyl]azepane-1-sulfonamide is CCCNCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(propylamino)ethyl]azepane-1-sulfonamide?
The InChIKey is TYCBNWKZGQOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-2-7-12-8-9-13-17(15,16)14-10-5-3-4-6-11-14/h12-13H,2-11H2,1H3.
What are the key properties of N-[2-(propylamino)ethyl]azepane-1-sulfonamide?
N-[2-(propylamino)ethyl]azepane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]azepane-1-sulfonamide is sourced from PubChem (CID 62665322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).