3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide

C13H23ClO2S — CID 55107252

IUPAC3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide
SMILESCC(C)C1CCC(Cl)C(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H23ClO2S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-13H,3-8H2,1-2H3
InChIKeyHCGGIBCWGSNXRV-UHFFFAOYSA-N
MW278.84 g/mol
LogP3.10
Rot. Bonds2

About 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide

3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide (PubChem CID 55107252) has the molecular formula C13H23ClO2S and a molecular weight of 278.84 g/mol. Its IUPAC name is 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide
PubChem CID55107252
Molecular FormulaC13H23ClO2S
Molecular Weight278.84 g/mol
Exact Mass278.11
IUPAC Name3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide
SMILESCC(C)C1CCC(Cl)C(C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H23ClO2S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-13H,3-8H2,1-2H3
InChIKeyHCGGIBCWGSNXRV-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.84
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62738839
3-(8-azabicyclo[3.2.1]octan-2-yl)thiolane 1,1-dioxide
CID 115037462
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
CID 62913879
5-methyl-3-propan-2-yl-1,4-thiazepane 1,1-dioxide
CID 79395756
1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65421162
2-[(1,1-dioxothiolan-3-yl)-(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65059686
3-(4-bromothiolan-3-yl)thiolane 1,1-dioxide
CID 83190413
2-(1,1-dioxothiolan-3-yl)propanoic acid
CID 57370502
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
2-(1,1-dioxothiolan-3-yl)-N-ethylcyclohexan-1-amine
CID 61382222

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide (CID 55107252) is 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide is CC(C)C1CCC(Cl)C(C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide?
The InChIKey is HCGGIBCWGSNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2S/c1-9(2)10-3-4-13(14)12(7-10)11-5-6-17(15,16)8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide?
3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide has a molecular weight of 278.84 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide is sourced from PubChem (CID 55107252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).