cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol

C9H16S — CID 145359275

IUPACcis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol
SMILESC=CC[C@@]1(C)CCC[C@H]1S
InChIInChI=1S/C9H16S/c1-3-6-9(2)7-4-5-8(9)10/h3,8,10H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyBUHSZWWQUYCTJO-BDAKNGLRSA-N
MW156.29 g/mol
LogP3.05
Rot. Bonds2

About cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol

cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol (PubChem CID 145359275) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol
PubChem CID145359275
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Namecis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol
SMILESC=CC[C@@]1(C)CCC[C@H]1S
InChIInChI=1S/C9H16S/c1-3-6-9(2)7-4-5-8(9)10/h3,8,10H,1,4-7H2,2H3/t8-,9+/m1/s1
InChIKeyBUHSZWWQUYCTJO-BDAKNGLRSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-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

1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
2-[(1S,2R)-2-methyl-2-prop-2-enylcyclopentyl]sulfonylpyrimidine;2-[(1R,2R)-2-methyl-2-prop-2-enylcyclopentyl]sulfonylpyrimidine;2-[(1S,2S)-2-methyl-2-prop-2-enylcyclopentyl]sulfonylpyrimidine;2-[(1R,2S)-2-methyl-2-prop-2-enylcyclopentyl]sulfonylpyrimidine
CID 158641856
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
5-methyl-1-prop-2-enylcyclooctan-1-amine
CID 143705620
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 155131478
(2S,3S,4aS,8aS)-2,3-dimethyl-2,3-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine
CID 11322682
cis-(1R,6S)-2,2,6-trimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 121395484
1-methyl-7-prop-2-enyl-11-azatricyclo[5.3.1.03,11]undecane
CID 134467176
trans-(1S,2S)-2-(hydroxymethyl)-2-methyl-1-prop-2-enylcyclohexan-1-ol
CID 71726289
2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
(1S,5S)-3,5-dimethyl-3-prop-2-enylbicyclo[3.3.1]nonane-2,9-dione
CID 10867813
methyl 5,5,8a-trimethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
CID 70446743

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol?
The IUPAC name of cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol (CID 145359275) is cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol?
The canonical SMILES for cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol is C=CC[C@@]1(C)CCC[C@H]1S.
What is the InChIKey of cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol?
The InChIKey is BUHSZWWQUYCTJO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16S/c1-3-6-9(2)7-4-5-8(9)10/h3,8,10H,1,4-7H2,2H3/t8-,9+/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol?
cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol has a molecular weight of 156.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentane-1-thiol is sourced from PubChem (CID 145359275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).