3-butan-2-ylsulfonylazepane

C10H21NO2S — CID 106512763

IUPAC3-butan-2-ylsulfonylazepane
SMILESCCC(C)S(=O)(=O)C1CCCCNC1
InChIInChI=1S/C10H21NO2S/c1-3-9(2)14(12,13)10-6-4-5-7-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyUAEBEEQUBRAGKF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds3

About 3-butan-2-ylsulfonylazepane

3-butan-2-ylsulfonylazepane (PubChem CID 106512763) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-butan-2-ylsulfonylazepane.

Molecular Properties

Compound Name3-butan-2-ylsulfonylazepane
PubChem CID106512763
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-butan-2-ylsulfonylazepane
SMILESCCC(C)S(=O)(=O)C1CCCCNC1
InChIInChI=1S/C10H21NO2S/c1-3-9(2)14(12,13)10-6-4-5-7-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyUAEBEEQUBRAGKF-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-ylsulfonylazepane
CID 102921107
2-methylpropane;piperidine-3-sulfonamide
CID 162108453
3-butan-2-ylsulfonylcyclohexan-1-one
CID 64722021
(3S)-3-methylsulfonylpiperidine;hydrochloride
CID 122170301
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 114134808
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-heptan-2-ylpiperidine-3-sulfonamide
CID 54972706
N-cyclopropyl-N-(2-methylpropyl)piperidine-3-sulfonamide
CID 55001459
3-butan-2-ylsulfonyl-N-propylcyclohexan-1-amine
CID 64715675
3-cyclobutylsulfonylpiperidine
CID 115070306
5,5-dimethylhexan-2-ylsulfonylcyclohexane
CID 158552545
2-cyclopentylsulfonyl-N-methylpropan-1-amine
CID 106512846

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylsulfonylazepane?
The IUPAC name of 3-butan-2-ylsulfonylazepane (CID 106512763) is 3-butan-2-ylsulfonylazepane.
What is the SMILES notation for 3-butan-2-ylsulfonylazepane?
The canonical SMILES for 3-butan-2-ylsulfonylazepane is CCC(C)S(=O)(=O)C1CCCCNC1.
What is the InChIKey of 3-butan-2-ylsulfonylazepane?
The InChIKey is UAEBEEQUBRAGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-9(2)14(12,13)10-6-4-5-7-11-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-butan-2-ylsulfonylazepane?
3-butan-2-ylsulfonylazepane has a molecular weight of 219.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylsulfonylazepane is sourced from PubChem (CID 106512763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).