(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol

C10H20S2 — CID 91826876

IUPAC(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol
SMILESC[C@@H](CS)[C@@H]1CC[C@H](C)[C@@H](S)C1
InChIInChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1
InChIKeySUNXFMPZAFGPFW-QEYWKRMJSA-N
MW204.40 g/mol
LogP3.29
Rot. Bonds2

About (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol

(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol (PubChem CID 91826876) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol.

Molecular Properties

Compound Name(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol
PubChem CID91826876
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol
SMILESC[C@@H](CS)[C@@H]1CC[C@H](C)[C@@H](S)C1
InChIInChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1
InChIKeySUNXFMPZAFGPFW-QEYWKRMJSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol 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

2-(2-methylcyclopropyl)propane-1-thiol
CID 123988306
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
(1R,2R,5S)-2-methyl-5-[(2R)-4-oxobutan-2-yl]cyclohexane-1-carbaldehyde
CID 129386326
2-(4-methylcyclohex-3-en-1-yl)propane-1-thiol
CID 59610016
2-methylcyclopropane-1-thiol
CID 123630782
4-(3,4-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64739292
3-(3,4-dimethylcyclohexyl)butan-2-ol
CID 79424372
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol?
The IUPAC name of (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol (CID 91826876) is (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol.
What is the SMILES notation for (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol?
The canonical SMILES for (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol is C[C@@H](CS)[C@@H]1CC[C@H](C)[C@@H](S)C1.
What is the InChIKey of (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol?
The InChIKey is SUNXFMPZAFGPFW-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol?
(1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol has a molecular weight of 204.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methyl-5-[(2R)-1-sulfanylpropan-2-yl]cyclohexane-1-thiol is sourced from PubChem (CID 91826876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).