N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide

C9H15NO3S — CID 164631011

IUPACN-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1C=CCCC1)C1COC1
InChIInChI=1S/C9H15NO3S/c11-14(12,9-6-13-7-9)10-8-4-2-1-3-5-8/h2,4,8-10H,1,3,5-7H2/t8-/m1/s1
InChIKeyYKWHETAANWNRKC-MRVPVSSYSA-N
MW217.29 g/mol
LogP0.41
Rot. Bonds3

About N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide

N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide (PubChem CID 164631011) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide
PubChem CID164631011
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1C=CCCC1)C1COC1
InChIInChI=1S/C9H15NO3S/c11-14(12,9-6-13-7-9)10-8-4-2-1-3-5-8/h2,4,8-10H,1,3,5-7H2/t8-/m1/s1
InChIKeyYKWHETAANWNRKC-MRVPVSSYSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S)-cyclohex-2-en-1-yl]oxetane-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 N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide?
The IUPAC name of N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide (CID 164631011) is N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide.
What is the SMILES notation for N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide?
The canonical SMILES for N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide is O=S(=O)(N[C@@H]1C=CCCC1)C1COC1.
What is the InChIKey of N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide?
The InChIKey is YKWHETAANWNRKC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-14(12,9-6-13-7-9)10-8-4-2-1-3-5-8/h2,4,8-10H,1,3,5-7H2/t8-/m1/s1.
What are the key properties of N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide?
N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-cyclohex-2-en-1-yl]oxetane-3-sulfonamide is sourced from PubChem (CID 164631011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).