2-methylpropylsulfinylmethylcyclopropane

C8H16OS — CID 21018607

IUPAC2-methylpropylsulfinylmethylcyclopropane
SMILESCC(C)CS(=O)CC1CC1
InChIInChI=1S/C8H16OS/c1-7(2)5-10(9)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyWRJSMKVGIALTPD-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.80
Rot. Bonds4

About 2-methylpropylsulfinylmethylcyclopropane

2-methylpropylsulfinylmethylcyclopropane (PubChem CID 21018607) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methylpropylsulfinylmethylcyclopropane.

Molecular Properties

Compound Name2-methylpropylsulfinylmethylcyclopropane
PubChem CID21018607
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methylpropylsulfinylmethylcyclopropane
SMILESCC(C)CS(=O)CC1CC1
InChIInChI=1S/C8H16OS/c1-7(2)5-10(9)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyWRJSMKVGIALTPD-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
CID 64656891
1-(oxan-4-ylmethylsulfinyl)butan-2-amine
CID 81189051
[(E)-but-2-enyl]sulfinylmethylcyclopropane
CID 131232381
4-(cyclopentylmethylsulfinyl)-3-(methylamino)butan-1-ol
CID 64929912
2-(2-methylpropylsulfinyl)ethanamine
CID 58684339
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
CID 115477144
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
sodium;cyclopropylmethanesulfinic acid;hydride
CID 174898426
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
N-[2-(2-methylpropylsulfinyl)ethyl]propan-2-amine
CID 64652249

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsulfinylmethylcyclopropane?
The IUPAC name of 2-methylpropylsulfinylmethylcyclopropane (CID 21018607) is 2-methylpropylsulfinylmethylcyclopropane.
What is the SMILES notation for 2-methylpropylsulfinylmethylcyclopropane?
The canonical SMILES for 2-methylpropylsulfinylmethylcyclopropane is CC(C)CS(=O)CC1CC1.
What is the InChIKey of 2-methylpropylsulfinylmethylcyclopropane?
The InChIKey is WRJSMKVGIALTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)5-10(9)6-8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methylpropylsulfinylmethylcyclopropane?
2-methylpropylsulfinylmethylcyclopropane has a molecular weight of 160.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfinylmethylcyclopropane is sourced from PubChem (CID 21018607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).