N,3-di(propan-2-yl)oxirane-2-sulfonamide

C8H17NO3S — CID 59848452

IUPACN,3-di(propan-2-yl)oxirane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)C1OC1C(C)C
InChIInChI=1S/C8H17NO3S/c1-5(2)7-8(12-7)13(10,11)9-6(3)4/h5-9H,1-4H3
InChIKeyUCISTYGZTMXSPA-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.70
Rot. Bonds4

About N,3-di(propan-2-yl)oxirane-2-sulfonamide

N,3-di(propan-2-yl)oxirane-2-sulfonamide (PubChem CID 59848452) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N,3-di(propan-2-yl)oxirane-2-sulfonamide.

Molecular Properties

Compound NameN,3-di(propan-2-yl)oxirane-2-sulfonamide
PubChem CID59848452
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN,3-di(propan-2-yl)oxirane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)C1OC1C(C)C
InChIInChI=1S/C8H17NO3S/c1-5(2)7-8(12-7)13(10,11)9-6(3)4/h5-9H,1-4H3
InChIKeyUCISTYGZTMXSPA-UHFFFAOYSA-N
XLogP0.70
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N,3-di(propan-2-yl)oxirane-2-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

1-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-propan-2-ylmethanesulfonamide
CID 165457261
3-methyl-N-propan-2-ylcyclobutane-1-sulfonamide
CID 164963614
(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
N-propan-2-yloxane-3-sulfonamide
CID 130684869
1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide
CID 176954820
cis-(1S,2R)-2-methoxy-N-propan-2-ylcycloheptane-1-sulfonamide
CID 165487230
(3R)-1-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100692198
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] ethanesulfonate
CID 166571378
1-chloro-N-propan-2-ylethanesulfonamide
CID 171409821

Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)oxirane-2-sulfonamide?
The IUPAC name of N,3-di(propan-2-yl)oxirane-2-sulfonamide (CID 59848452) is N,3-di(propan-2-yl)oxirane-2-sulfonamide.
What is the SMILES notation for N,3-di(propan-2-yl)oxirane-2-sulfonamide?
The canonical SMILES for N,3-di(propan-2-yl)oxirane-2-sulfonamide is CC(C)NS(=O)(=O)C1OC1C(C)C.
What is the InChIKey of N,3-di(propan-2-yl)oxirane-2-sulfonamide?
The InChIKey is UCISTYGZTMXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-5(2)7-8(12-7)13(10,11)9-6(3)4/h5-9H,1-4H3.
What are the key properties of N,3-di(propan-2-yl)oxirane-2-sulfonamide?
N,3-di(propan-2-yl)oxirane-2-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)oxirane-2-sulfonamide is sourced from PubChem (CID 59848452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).