N-butylazepane-1-sulfonamide

C10H22N2O2S — CID 71367847

IUPACN-butylazepane-1-sulfonamide
SMILESCCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-11-15(13,14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3
InChIKeyDEKJPNFJNXQPFR-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.50
Rot. Bonds5

About N-butylazepane-1-sulfonamide

N-butylazepane-1-sulfonamide (PubChem CID 71367847) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-butylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-butylazepane-1-sulfonamide
PubChem CID71367847
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-butylazepane-1-sulfonamide
SMILESCCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-2-3-8-11-15(13,14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3
InChIKeyDEKJPNFJNXQPFR-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylazepane-1-sulfonamide?
The IUPAC name of N-butylazepane-1-sulfonamide (CID 71367847) is N-butylazepane-1-sulfonamide.
What is the SMILES notation for N-butylazepane-1-sulfonamide?
The canonical SMILES for N-butylazepane-1-sulfonamide is CCCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-butylazepane-1-sulfonamide?
The InChIKey is DEKJPNFJNXQPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-3-8-11-15(13,14)12-9-6-4-5-7-10-12/h11H,2-10H2,1H3.
What are the key properties of N-butylazepane-1-sulfonamide?
N-butylazepane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylazepane-1-sulfonamide is sourced from PubChem (CID 71367847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).