N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide

C10H20N2O2S — CID 64988935

IUPACN-(azepan-3-yl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCCNC1
InChIInChI=1S/C10H20N2O2S/c13-15(14,8-9-4-5-9)12-10-3-1-2-6-11-7-10/h9-12H,1-8H2
InChIKeyOPWUQEAUHCWCJC-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.46
Rot. Bonds4

About N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide

N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide (PubChem CID 64988935) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-1-cyclopropylmethanesulfonamide
PubChem CID64988935
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(azepan-3-yl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CCCCNC1
InChIInChI=1S/C10H20N2O2S/c13-15(14,8-9-4-5-9)12-10-3-1-2-6-11-7-10/h9-12H,1-8H2
InChIKeyOPWUQEAUHCWCJC-UHFFFAOYSA-N
XLogP0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide (CID 64988935) is N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NC1CCCCNC1.
What is the InChIKey of N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide?
The InChIKey is OPWUQEAUHCWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c13-15(14,8-9-4-5-9)12-10-3-1-2-6-11-7-10/h9-12H,1-8H2.
What are the key properties of N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide?
N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64988935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).