1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane

C9H18O2S — CID 160829804

IUPAC1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane
SMILESCCC1(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C9H18O2S/c1-4-9(5-6-9)12(10,11)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyNSNUPWCYIKFLPE-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds4

About 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane

1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane (PubChem CID 160829804) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane
PubChem CID160829804
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane
SMILESCCC1(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C9H18O2S/c1-4-9(5-6-9)12(10,11)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyNSNUPWCYIKFLPE-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1-(1-ethylcyclopropyl)sulfonylcyclopropane
CID 160654099
2-methylpropylsulfonylcyclopropane
CID 58333627
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
1-(2-methylpropylsulfonylmethyl)cyclopropan-1-amine
CID 84772133
(1-ethylsulfonylcyclopropyl)methanamine;hydrochloride
CID 122164381
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
2-methylpropane-1-sulfonamide
CID 10197726
2-(1-ethylsulfonylcyclopropyl)acetic acid
CID 115019032
(1-propylsulfonylcyclopropyl)methanol
CID 117037466
3-ethyl-3-(2-methylpropylsulfonyl)pentane
CID 58814812
3,4,5,6-tetrakis(2-methylpropylsulfonyl)cyclohexa-3,5-diene-1,2-dione
CID 19888270

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane?
The IUPAC name of 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane (CID 160829804) is 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane?
The canonical SMILES for 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane is CCC1(S(=O)(=O)CC(C)C)CC1.
What is the InChIKey of 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane?
The InChIKey is NSNUPWCYIKFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-4-9(5-6-9)12(10,11)7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane?
1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane has a molecular weight of 190.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylpropylsulfonyl)cyclopropane is sourced from PubChem (CID 160829804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).