1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene

C15H21ClOS — CID 158293424

IUPAC1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene
SMILESCC(C)(C)[S@](=O)CC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H21ClOS/c1-15(2,3)18(17)10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3/t14?,18-/m1/s1
InChIKeyGLPYNPDXXRNQKN-XPKAQORNSA-N
MW284.85 g/mol
LogP4.38
Rot. Bonds4

About 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene

1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene (PubChem CID 158293424) has the molecular formula C15H21ClOS and a molecular weight of 284.85 g/mol. Its IUPAC name is 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene
PubChem CID158293424
Molecular FormulaC15H21ClOS
Molecular Weight284.85 g/mol
Exact Mass284.10
IUPAC Name1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene
SMILESCC(C)(C)[S@](=O)CC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H21ClOS/c1-15(2,3)18(17)10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3/t14?,18-/m1/s1
InChIKeyGLPYNPDXXRNQKN-XPKAQORNSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.85
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
CID 97322563
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
2-[(2S)-2-(4-chlorophenyl)-2-cyclopropylethyl]-4-methylbenzenesulfonic acid
CID 90887895
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
(4-chlorophenyl)-cyclopropylmethanesulfonamide
CID 62085112
3-(4-chlorophenyl)-3-(oxan-4-yl)propanoic acid;ethane
CID 144917380
1-chloro-4-[1-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 19767130
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene?
The IUPAC name of 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene (CID 158293424) is 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene is CC(C)(C)[S@](=O)CC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene?
The InChIKey is GLPYNPDXXRNQKN-XPKAQORNSA-N. The full InChI is InChI=1S/C15H21ClOS/c1-15(2,3)18(17)10-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3/t14?,18-/m1/s1.
What are the key properties of 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene?
1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene has a molecular weight of 284.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-tert-butylsulfinyl]-1-cyclopropylethyl]-4-chlorobenzene is sourced from PubChem (CID 158293424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).