N-tert-butylazepane-1-sulfonamide

C10H22N2O2S — CID 31065077

IUPACN-tert-butylazepane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11-15(13,14)12-8-6-4-5-7-9-12/h11H,4-9H2,1-3H3
InChIKeyISIOXHJLXIGKJK-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.50
Rot. Bonds2

About N-tert-butylazepane-1-sulfonamide

N-tert-butylazepane-1-sulfonamide (PubChem CID 31065077) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-tert-butylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylazepane-1-sulfonamide
PubChem CID31065077
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-tert-butylazepane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)11-15(13,14)12-8-6-4-5-7-9-12/h11H,4-9H2,1-3H3
InChIKeyISIOXHJLXIGKJK-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylazepane-1-sulfonamide?
The IUPAC name of N-tert-butylazepane-1-sulfonamide (CID 31065077) is N-tert-butylazepane-1-sulfonamide.
What is the SMILES notation for N-tert-butylazepane-1-sulfonamide?
The canonical SMILES for N-tert-butylazepane-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-tert-butylazepane-1-sulfonamide?
The InChIKey is ISIOXHJLXIGKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)11-15(13,14)12-8-6-4-5-7-9-12/h11H,4-9H2,1-3H3.
What are the key properties of N-tert-butylazepane-1-sulfonamide?
N-tert-butylazepane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylazepane-1-sulfonamide is sourced from PubChem (CID 31065077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).