2-methyl-4-propylthiolane 1-oxide

C8H16OS — CID 147789448

IUPAC2-methyl-4-propylthiolane 1-oxide
SMILESCCCC1CC(C)S(=O)C1
InChIInChI=1S/C8H16OS/c1-3-4-8-5-7(2)10(9)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHJILMLJUWGKEMB-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.94
Rot. Bonds2

About 2-methyl-4-propylthiolane 1-oxide

2-methyl-4-propylthiolane 1-oxide (PubChem CID 147789448) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-4-propylthiolane 1-oxide.

Molecular Properties

Compound Name2-methyl-4-propylthiolane 1-oxide
PubChem CID147789448
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-4-propylthiolane 1-oxide
SMILESCCCC1CC(C)S(=O)C1
InChIInChI=1S/C8H16OS/c1-3-4-8-5-7(2)10(9)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHJILMLJUWGKEMB-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-7-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
CID 66217688
1,3-dimethyl-5-propylcyclohexane
CID 13144142
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
3-propylbicyclo[4.2.0]octane
CID 145186098
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
(2R)-2-butylthiirane 1-oxide
CID 15198464
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
1-butyl-3,5-dipropylcyclohexane
CID 145132341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propylthiolane 1-oxide?
The IUPAC name of 2-methyl-4-propylthiolane 1-oxide (CID 147789448) is 2-methyl-4-propylthiolane 1-oxide.
What is the SMILES notation for 2-methyl-4-propylthiolane 1-oxide?
The canonical SMILES for 2-methyl-4-propylthiolane 1-oxide is CCCC1CC(C)S(=O)C1.
What is the InChIKey of 2-methyl-4-propylthiolane 1-oxide?
The InChIKey is HJILMLJUWGKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-4-8-5-7(2)10(9)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-propylthiolane 1-oxide?
2-methyl-4-propylthiolane 1-oxide has a molecular weight of 160.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propylthiolane 1-oxide is sourced from PubChem (CID 147789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).