(2S)-2-(cyclohexylmethyl)thiolane

C11H20S — CID 132938767

IUPAC(2S)-2-(cyclohexylmethyl)thiolane
SMILESC1CCC(C[C@@H]2CCCS2)CC1
InChIInChI=1S/C11H20S/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2/t11-/m0/s1
InChIKeyROBWWBWLSUBULJ-NSHDSACASA-N
MW184.35 g/mol
LogP3.85
Rot. Bonds2

About (2S)-2-(cyclohexylmethyl)thiolane

(2S)-2-(cyclohexylmethyl)thiolane (PubChem CID 132938767) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)thiolane.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)thiolane
PubChem CID132938767
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name(2S)-2-(cyclohexylmethyl)thiolane
SMILESC1CCC(C[C@@H]2CCCS2)CC1
InChIInChI=1S/C11H20S/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2/t11-/m0/s1
InChIKeyROBWWBWLSUBULJ-NSHDSACASA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)thiolane?
The IUPAC name of (2S)-2-(cyclohexylmethyl)thiolane (CID 132938767) is (2S)-2-(cyclohexylmethyl)thiolane.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)thiolane?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)thiolane is C1CCC(C[C@@H]2CCCS2)CC1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)thiolane?
The InChIKey is ROBWWBWLSUBULJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H20S/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)thiolane?
(2S)-2-(cyclohexylmethyl)thiolane has a molecular weight of 184.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)thiolane is sourced from PubChem (CID 132938767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).