1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone

C10H18OS — CID 107752722

IUPAC1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone
SMILESCCC(C)CSCC(=O)C1CC1
InChIInChI=1S/C10H18OS/c1-3-8(2)6-12-7-10(11)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyYJQFRKGCVLFZMU-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.74
Rot. Bonds6

About 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone

1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone (PubChem CID 107752722) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone
PubChem CID107752722
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone
SMILESCCC(C)CSCC(=O)C1CC1
InChIInChI=1S/C10H18OS/c1-3-8(2)6-12-7-10(11)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyYJQFRKGCVLFZMU-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(3-hydroxy-2-methylpropyl)sulfanylethanone
CID 66104302
1-cyclopropyl-2-ethylsulfanylethanone
CID 63907128
1-cyclopropyl-2-propylsulfanylethanone
CID 63907545
1-(3,4-dimethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanone
CID 65137650
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
1-cyclopropyl-2-pentylsulfanylethanone
CID 107752517
2-cyclopropyl-2-(ethylamino)-3-(2-methylbutylsulfanyl)propanamide
CID 107756122
1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
1-cyclopropyl-2-(3-hydroxybutan-2-ylsulfanyl)ethanone
CID 107771448
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
3-(2-methylbutylsulfanyl)propanoic acid
CID 62105843

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone (CID 107752722) is 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone is CCC(C)CSCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone?
The InChIKey is YJQFRKGCVLFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-8(2)6-12-7-10(11)9-4-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone?
1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone has a molecular weight of 186.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone is sourced from PubChem (CID 107752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).