N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide

C11H23N3O3S — CID 43611386

IUPACN-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-13(11-3-9-17-10-4-11)18(15,16)14-7-2-5-12-6-8-14/h11-12H,2-10H2,1H3
InChIKeyUHBZPXCAJWNBFA-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.36
Rot. Bonds3

About N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide

N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide (PubChem CID 43611386) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide
PubChem CID43611386
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)N1CCCNCC1
InChIInChI=1S/C11H23N3O3S/c1-13(11-3-9-17-10-4-11)18(15,16)14-7-2-5-12-6-8-14/h11-12H,2-10H2,1H3
InChIKeyUHBZPXCAJWNBFA-UHFFFAOYSA-N
XLogP-0.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide (CID 43611386) is N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide is CN(C1CCOCC1)S(=O)(=O)N1CCCNCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide?
The InChIKey is UHBZPXCAJWNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-13(11-3-9-17-10-4-11)18(15,16)14-7-2-5-12-6-8-14/h11-12H,2-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide?
N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 43611386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).