4-propan-2-ylazepane-1-sulfonamide

C9H20N2O2S — CID 56790974

IUPAC4-propan-2-ylazepane-1-sulfonamide
SMILESCC(C)C1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)9-4-3-6-11(7-5-9)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyHOWFGIGCGPSUGB-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.95
Rot. Bonds2

About 4-propan-2-ylazepane-1-sulfonamide

4-propan-2-ylazepane-1-sulfonamide (PubChem CID 56790974) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-propan-2-ylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-propan-2-ylazepane-1-sulfonamide
PubChem CID56790974
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-propan-2-ylazepane-1-sulfonamide
SMILESCC(C)C1CCCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)9-4-3-6-11(7-5-9)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13)
InChIKeyHOWFGIGCGPSUGB-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylazepane-1-sulfonamide?
The IUPAC name of 4-propan-2-ylazepane-1-sulfonamide (CID 56790974) is 4-propan-2-ylazepane-1-sulfonamide.
What is the SMILES notation for 4-propan-2-ylazepane-1-sulfonamide?
The canonical SMILES for 4-propan-2-ylazepane-1-sulfonamide is CC(C)C1CCCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-propan-2-ylazepane-1-sulfonamide?
The InChIKey is HOWFGIGCGPSUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)9-4-3-6-11(7-5-9)14(10,12)13/h8-9H,3-7H2,1-2H3,(H2,10,12,13).
What are the key properties of 4-propan-2-ylazepane-1-sulfonamide?
4-propan-2-ylazepane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylazepane-1-sulfonamide is sourced from PubChem (CID 56790974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).