(3-methyl-4-methylsulfanylbutyl)cyclopentane

C11H22S — CID 139570200

IUPAC(3-methyl-4-methylsulfanylbutyl)cyclopentane
SMILESCSCC(C)CCC1CCCC1
InChIInChI=1S/C11H22S/c1-10(9-12-2)7-8-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3
InChIKeyHINQYAIRMGDGST-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.96
Rot. Bonds5

About (3-methyl-4-methylsulfanylbutyl)cyclopentane

(3-methyl-4-methylsulfanylbutyl)cyclopentane (PubChem CID 139570200) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is (3-methyl-4-methylsulfanylbutyl)cyclopentane.

Molecular Properties

Compound Name(3-methyl-4-methylsulfanylbutyl)cyclopentane
PubChem CID139570200
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name(3-methyl-4-methylsulfanylbutyl)cyclopentane
SMILESCSCC(C)CCC1CCCC1
InChIInChI=1S/C11H22S/c1-10(9-12-2)7-8-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3
InChIKeyHINQYAIRMGDGST-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
(4-cyclopentyl-2-methylbutyl)-dimethoxysilane
CID 123483492
3,5,6-trimethylheptylcyclohexane
CID 123254149
(7-ethylsulfanyl-6-methylheptyl)cyclopentane
CID 170850385
(NE)-N-(5-cyclopentyl-3-methylpentylidene)hydroxylamine
CID 18433861
2-methylsulfanylethylcyclohexane
CID 14024904
3-methylpentylcyclopropane
CID 56979389
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
CID 115895600
4-methylpentylcyclopentane
CID 523530
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-methylsulfanylbutyl)cyclopentane?
The IUPAC name of (3-methyl-4-methylsulfanylbutyl)cyclopentane (CID 139570200) is (3-methyl-4-methylsulfanylbutyl)cyclopentane.
What is the SMILES notation for (3-methyl-4-methylsulfanylbutyl)cyclopentane?
The canonical SMILES for (3-methyl-4-methylsulfanylbutyl)cyclopentane is CSCC(C)CCC1CCCC1.
What is the InChIKey of (3-methyl-4-methylsulfanylbutyl)cyclopentane?
The InChIKey is HINQYAIRMGDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-10(9-12-2)7-8-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of (3-methyl-4-methylsulfanylbutyl)cyclopentane?
(3-methyl-4-methylsulfanylbutyl)cyclopentane has a molecular weight of 186.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-methylsulfanylbutyl)cyclopentane is sourced from PubChem (CID 139570200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).