N,N-dimethylazepane-1-sulfonamide

C8H18N2O2S — CID 4069524

IUPACN,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-9(2)13(11,12)10-7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyYWXFVEHZFYGIHP-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.67
Rot. Bonds2

About N,N-dimethylazepane-1-sulfonamide

N,N-dimethylazepane-1-sulfonamide (PubChem CID 4069524) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N,N-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylazepane-1-sulfonamide
PubChem CID4069524
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-9(2)13(11,12)10-7-5-3-4-6-8-10/h3-8H2,1-2H3
InChIKeyYWXFVEHZFYGIHP-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazepane-1-sulfonamide?
The IUPAC name of N,N-dimethylazepane-1-sulfonamide (CID 4069524) is N,N-dimethylazepane-1-sulfonamide.
What is the SMILES notation for N,N-dimethylazepane-1-sulfonamide?
The canonical SMILES for N,N-dimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N,N-dimethylazepane-1-sulfonamide?
The InChIKey is YWXFVEHZFYGIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-9(2)13(11,12)10-7-5-3-4-6-8-10/h3-8H2,1-2H3.
What are the key properties of N,N-dimethylazepane-1-sulfonamide?
N,N-dimethylazepane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 4069524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).