N-(azepan-4-yl)-N-methylmethanesulfonamide

C8H18N2O2S — CID 66509989

IUPACN-(azepan-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCCNCC1)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-10(13(2,11)12)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyWEFWXGSWYJSXSY-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds2

About N-(azepan-4-yl)-N-methylmethanesulfonamide

N-(azepan-4-yl)-N-methylmethanesulfonamide (PubChem CID 66509989) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methylmethanesulfonamide
PubChem CID66509989
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(azepan-4-yl)-N-methylmethanesulfonamide
SMILESCN(C1CCCNCC1)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S/c1-10(13(2,11)12)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
InChIKeyWEFWXGSWYJSXSY-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(azepan-4-yl)-N-methylmethanesulfonamide (CID 66509989) is N-(azepan-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-N-methylmethanesulfonamide is CN(C1CCCNCC1)S(C)(=O)=O.
What is the InChIKey of N-(azepan-4-yl)-N-methylmethanesulfonamide?
The InChIKey is WEFWXGSWYJSXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10(13(2,11)12)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-N-methylmethanesulfonamide?
N-(azepan-4-yl)-N-methylmethanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 66509989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).