2-cyclopropylsulfonylpropylbenzene

C12H16O2S — CID 10857102

IUPAC2-cyclopropylsulfonylpropylbenzene
SMILESCC(Cc1ccccc1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H16O2S/c1-10(15(13,14)12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyKCYLXGLNBCNUGD-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.19
Rot. Bonds4

About 2-cyclopropylsulfonylpropylbenzene

2-cyclopropylsulfonylpropylbenzene (PubChem CID 10857102) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-cyclopropylsulfonylpropylbenzene.

Molecular Properties

Compound Name2-cyclopropylsulfonylpropylbenzene
PubChem CID10857102
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name2-cyclopropylsulfonylpropylbenzene
SMILESCC(Cc1ccccc1)S(=O)(=O)C1CC1
InChIInChI=1S/C12H16O2S/c1-10(15(13,14)12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyKCYLXGLNBCNUGD-UHFFFAOYSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
CID 103308493
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
CID 173242520
methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
2-(oxolan-3-ylsulfonyl)-3-phenylpropanoic acid
CID 63558168
2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine
CID 64675315
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-octylsulfonylpropylbenzene
CID 154336475
1,3-diphenylpropane-2-sulfonamide
CID 62084735
azane;1-phenylpropan-2-amine
CID 67350534
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonylpropylbenzene?
The IUPAC name of 2-cyclopropylsulfonylpropylbenzene (CID 10857102) is 2-cyclopropylsulfonylpropylbenzene.
What is the SMILES notation for 2-cyclopropylsulfonylpropylbenzene?
The canonical SMILES for 2-cyclopropylsulfonylpropylbenzene is CC(Cc1ccccc1)S(=O)(=O)C1CC1.
What is the InChIKey of 2-cyclopropylsulfonylpropylbenzene?
The InChIKey is KCYLXGLNBCNUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-10(15(13,14)12-7-8-12)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 2-cyclopropylsulfonylpropylbenzene?
2-cyclopropylsulfonylpropylbenzene has a molecular weight of 224.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonylpropylbenzene is sourced from PubChem (CID 10857102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).