(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol

C10H18O2S — CID 158183619

IUPAC(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol
SMILESC=C1C[C@H](CSCCC)C(O)C1O
InChIInChI=1S/C10H18O2S/c1-3-4-13-6-8-5-7(2)9(11)10(8)12/h8-12H,2-6H2,1H3/t8-,9?,10?/m1/s1
InChIKeyWPGYMDXPKQJNKS-XNWIYYODSA-N
MW202.32 g/mol
LogP1.43
Rot. Bonds4

About (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol

(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol (PubChem CID 158183619) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol
PubChem CID158183619
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol
SMILESC=C1C[C@H](CSCCC)C(O)C1O
InChIInChI=1S/C10H18O2S/c1-3-4-13-6-8-5-7(2)9(11)10(8)12/h8-12H,2-6H2,1H3/t8-,9?,10?/m1/s1
InChIKeyWPGYMDXPKQJNKS-XNWIYYODSA-N
XLogP1.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
CID 134964075
ethanol;1-propylsulfanylpropane
CID 175163753
(3R)-1-methylidene-3-(pentylsulfanylmethyl)cyclopentane
CID 158183620
1-ethyl-3-(propylsulfanylmethyl)dithiiran-1-ium
CID 172779811
(1R)-1-(dodecylsulfanylmethyl)-3-methylidenecyclopentane
CID 158183626
(2S,3S,4R)-1-butyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050496
1,1-difluoro-4-(propylsulfanylmethyl)cyclohexane
CID 174678051
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349
(2S)-2-(propylsulfanylmethyl)pyrrolidine
CID 102820309
1,2-bis(ethylsulfanylmethyl)cyclohexane
CID 69353267
3-[[(1S,3S,6S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38R,41R,43R,45R,47R,49R,51R,53R,54S,55R)-15,20-bis(2-carboxyethylsulfanylmethyl)-5,30,35,40-tetrakis(ethylsulfanylmethyl)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-25-(propylsulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-10-yl]methylsulfanyl]propanoic acid
CID 160937069
1-cyclopropyl-2-propylsulfanylethanone
CID 63907545

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol?
The IUPAC name of (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol (CID 158183619) is (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol?
The canonical SMILES for (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol is C=C1C[C@H](CSCCC)C(O)C1O.
What is the InChIKey of (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol?
The InChIKey is WPGYMDXPKQJNKS-XNWIYYODSA-N. The full InChI is InChI=1S/C10H18O2S/c1-3-4-13-6-8-5-7(2)9(11)10(8)12/h8-12H,2-6H2,1H3/t8-,9?,10?/m1/s1.
What are the key properties of (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol?
(5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol has a molecular weight of 202.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methylidene-5-(propylsulfanylmethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 158183619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).