1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide

C10H18N2O3S — CID 103887652

IUPAC1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C10H18N2O3S/c1-3-10(7-11)16(13,14)12-9-4-5-15-8(2)6-9/h8-10,12H,3-6H2,1-2H3
InChIKeyZVNJASBNQXFULL-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.78
Rot. Bonds4

About 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide

1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide (PubChem CID 103887652) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
PubChem CID103887652
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C10H18N2O3S/c1-3-10(7-11)16(13,14)12-9-4-5-15-8(2)6-9/h8-10,12H,3-6H2,1-2H3
InChIKeyZVNJASBNQXFULL-UHFFFAOYSA-N
XLogP0.78
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-(2-methyloxan-4-yl)propane-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

Related Compounds

N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
1-cyano-N-(3-methylsulfanylcyclohexyl)propane-1-sulfonamide
CID 113338251
1-cyano-N-(1-oxothian-4-yl)propane-1-sulfonamide
CID 104600188
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
CID 107172726
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
CID 107271483
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
1-cyano-N-(3-ethoxy-2,2-dimethylcyclobutyl)propane-1-sulfonamide
CID 103850424
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide (CID 103887652) is 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NC1CCOC(C)C1.
What is the InChIKey of 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide?
The InChIKey is ZVNJASBNQXFULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-10(7-11)16(13,14)12-9-4-5-15-8(2)6-9/h8-10,12H,3-6H2,1-2H3.
What are the key properties of 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide?
1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 103887652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).