(3S)-3-tert-butylsulfonylcyclohexene

C10H18O2S — CID 10932538

IUPAC(3S)-3-tert-butylsulfonylcyclohexene
SMILESCC(C)(C)S(=O)(=O)[C@@H]1C=CCCC1
InChIInChI=1S/C10H18O2S/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/t9-/m1/s1
InChIKeyMVDULLGHRRVLFL-SECBINFHSA-N
MW202.32 g/mol
LogP2.31
Rot. Bonds1

About (3S)-3-tert-butylsulfonylcyclohexene

(3S)-3-tert-butylsulfonylcyclohexene (PubChem CID 10932538) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (3S)-3-tert-butylsulfonylcyclohexene.

Molecular Properties

Compound Name(3S)-3-tert-butylsulfonylcyclohexene
PubChem CID10932538
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(3S)-3-tert-butylsulfonylcyclohexene
SMILESCC(C)(C)S(=O)(=O)[C@@H]1C=CCCC1
InChIInChI=1S/C10H18O2S/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/t9-/m1/s1
InChIKeyMVDULLGHRRVLFL-SECBINFHSA-N
XLogP2.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-tert-butylsulfonylcyclohexene 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

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Cyclohexenyl sulfone
CID 316158
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcycloheptene
CID 15550936
(1Z,3S)-3-tert-butylsulfonylcyclooctene
CID 15550937
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
5-Methylsulfonylcyclooctene
CID 67958396
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
Methylsulfonylcyclohex-2-ene
CID 129813952

Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butylsulfonylcyclohexene?
The IUPAC name of (3S)-3-tert-butylsulfonylcyclohexene (CID 10932538) is (3S)-3-tert-butylsulfonylcyclohexene.
What is the SMILES notation for (3S)-3-tert-butylsulfonylcyclohexene?
The canonical SMILES for (3S)-3-tert-butylsulfonylcyclohexene is CC(C)(C)S(=O)(=O)[C@@H]1C=CCCC1.
What is the InChIKey of (3S)-3-tert-butylsulfonylcyclohexene?
The InChIKey is MVDULLGHRRVLFL-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O2S/c1-10(2,3)13(11,12)9-7-5-4-6-8-9/h5,7,9H,4,6,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3S)-3-tert-butylsulfonylcyclohexene?
(3S)-3-tert-butylsulfonylcyclohexene has a molecular weight of 202.32 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butylsulfonylcyclohexene is sourced from PubChem (CID 10932538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).