1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane

C12H24S — CID 146200730

IUPAC1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
SMILESCSCCC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24S/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyQNFFHBFREQVNPK-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane

1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane (PubChem CID 146200730) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
PubChem CID146200730
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
SMILESCSCCC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24S/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyQNFFHBFREQVNPK-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanylethylcyclopropane
CID 23403340
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
2-methylsulfanylethylcyclohexane
CID 14024904
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
2-(2-methylpropylsulfanyl)ethylcyclopropane
CID 130718776
propan-2-ylcyclopropane;hydroiodide
CID 162314014
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane (CID 146200730) is 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane is CSCCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane?
The InChIKey is QNFFHBFREQVNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane?
1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane has a molecular weight of 200.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 146200730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).