2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane

C11H18S2 — CID 87706863

IUPAC2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
SMILESC1CC(CC2CS2)CC1CC1CS1
InChIInChI=1S/C11H18S2/c1-2-9(5-11-7-13-11)3-8(1)4-10-6-12-10/h8-11H,1-7H2
InChIKeyKJZKULUBCCHRPN-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.41
Rot. Bonds4

About 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane

2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane (PubChem CID 87706863) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
PubChem CID87706863
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
SMILESC1CC(CC2CS2)CC1CC1CS1
InChIInChI=1S/C11H18S2/c1-2-9(5-11-7-13-11)3-8(1)4-10-6-12-10/h8-11H,1-7H2
InChIKeyKJZKULUBCCHRPN-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
CID 87707235
2,5-bis(thiiran-2-ylmethyl)thiane
CID 87707145
1,3-diethylcyclopentane
CID 530396
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
2-(cyclooctylmethyl)thiolane
CID 163438638
2,5-bis[2-(cyclopropylmethylsulfanyl)ethyl]-1,4-dithiane;2,5-bis[2-(cyclopropylmethylsulfanyl)ethylsulfanylmethyl]-1,4-dithiane
CID 91512059
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
[5-[[[5-(sulfanylmethyl)-1,4-dithian-2-yl]methyldisulfanyl]methyl]-1,4-dithian-2-yl]methanethiol
CID 57056579
2-(methoxymethyl)thiirane
CID 29837
6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
CID 90447091
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane?
The IUPAC name of 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane (CID 87706863) is 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane.
What is the SMILES notation for 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane?
The canonical SMILES for 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane is C1CC(CC2CS2)CC1CC1CS1.
What is the InChIKey of 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane?
The InChIKey is KJZKULUBCCHRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S2/c1-2-9(5-11-7-13-11)3-8(1)4-10-6-12-10/h8-11H,1-7H2.
What are the key properties of 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane?
2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane has a molecular weight of 214.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane is sourced from PubChem (CID 87706863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).