3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide

C13H27NO3S — CID 126694864

IUPAC3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide
SMILESCCCCC(C)(CC)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-4-6-9-13(3,5-2)18(15,16)14-11-12-8-7-10-17-12/h12,14H,4-11H2,1-3H3
InChIKeyCZKZCKKLJDAZAP-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.44
Rot. Bonds8

About 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide

3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide (PubChem CID 126694864) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide
PubChem CID126694864
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide
SMILESCCCCC(C)(CC)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H27NO3S/c1-4-6-9-13(3,5-2)18(15,16)14-11-12-8-7-10-17-12/h12,14H,4-11H2,1-3H3
InChIKeyCZKZCKKLJDAZAP-UHFFFAOYSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-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 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide (CID 126694864) is 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide is CCCCC(C)(CC)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide?
The InChIKey is CZKZCKKLJDAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-4-6-9-13(3,5-2)18(15,16)14-11-12-8-7-10-17-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide?
3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)heptane-3-sulfonamide is sourced from PubChem (CID 126694864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).