1-methyl-1-(3-methylsulfanylpropyl)cyclopentane

C10H20S — CID 22095061

IUPAC1-methyl-1-(3-methylsulfanylpropyl)cyclopentane
SMILESCSCCCC1(C)CCCC1
InChIInChI=1S/C10H20S/c1-10(6-3-4-7-10)8-5-9-11-2/h3-9H2,1-2H3
InChIKeyBDXPYBDOFUAPTR-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.71
Rot. Bonds4

About 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane

1-methyl-1-(3-methylsulfanylpropyl)cyclopentane (PubChem CID 22095061) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane.

Molecular Properties

Compound Name1-methyl-1-(3-methylsulfanylpropyl)cyclopentane
PubChem CID22095061
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name1-methyl-1-(3-methylsulfanylpropyl)cyclopentane
SMILESCSCCCC1(C)CCCC1
InChIInChI=1S/C10H20S/c1-10(6-3-4-7-10)8-5-9-11-2/h3-9H2,1-2H3
InChIKeyBDXPYBDOFUAPTR-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-methylsulfanylpropyl)cyclopentan-1-one
CID 116538551
3-methyl-3-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 116538737
1-methyl-1-undecylcyclohexane
CID 86137257
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
6-(1-methylcyclohexyl)hexanamide
CID 154219195
1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
CID 168783124
1-methyl-1-pentylcyclopropane
CID 524644
methyl 3-(4-methylphenyl)-2-[[1-(3-methylsulfanylpropyl)cyclobutanecarbonyl]amino]propanoate;1-methyl-1-(3-methylsulfanylpropyl)cyclobutane;1-(4-methylphenyl)propan-2-amine;hydrochloride
CID 160855717
1-methyl-1-(3-methylpenta-3,4-dienyl)cyclohexane
CID 142096766
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
(1E)-1'-ethyl-1',4-dimethyl-4-(2-methylsulfanylethyl)spiro[bicyclo[20.6.0]octacos-1(22)-ene-5,3'-cycloheptane]
CID 170051204
2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane?
The IUPAC name of 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane (CID 22095061) is 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane.
What is the SMILES notation for 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane?
The canonical SMILES for 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane is CSCCCC1(C)CCCC1.
What is the InChIKey of 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane?
The InChIKey is BDXPYBDOFUAPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-10(6-3-4-7-10)8-5-9-11-2/h3-9H2,1-2H3.
What are the key properties of 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane?
1-methyl-1-(3-methylsulfanylpropyl)cyclopentane has a molecular weight of 172.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylsulfanylpropyl)cyclopentane is sourced from PubChem (CID 22095061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).