(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine

C11H14ClNO2S — CID 124746241

IUPAC(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCS(=O)(=O)[C@@H]1[C@H](N)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-16(14,15)11-9(10(11)13)7-3-5-8(12)6-4-7/h3-6,9-11H,2,13H2,1H3/t9-,10-,11+/m1/s1
InChIKeyKVMCSSHMWXSLEN-MXWKQRLJSA-N
MW259.76 g/mol
LogP1.57
Rot. Bonds3

About (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine

(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine (PubChem CID 124746241) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
PubChem CID124746241
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCS(=O)(=O)[C@@H]1[C@H](N)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2S/c1-2-16(14,15)11-9(10(11)13)7-3-5-8(12)6-4-7/h3-6,9-11H,2,13H2,1H3/t9-,10-,11+/m1/s1
InChIKeyKVMCSSHMWXSLEN-MXWKQRLJSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 102570405
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
[(1S,2S,3R)-1-(aminomethyl)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropyl]methanol
CID 124748839
(1S,2R,3R)-2-(4-chlorophenyl)-3-ethylsulfonyl-1-(methoxymethyl)cyclopropan-1-amine
CID 124857943
(1S,2S,3S)-2-ethylsulfonyl-3-(4-methylphenyl)cyclopropane-1-carbothioamide
CID 124858647
4,5,9,10-tetrakis(4-chlorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374957
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124744999
(1S,2S,3S)-2-ethylsulfonyl-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124748534
2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
CID 102571010
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
5-(4-chlorophenyl)-6-ethyl-2,5-dihydropyrimidine-2,4-diamine
CID 123992577
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine?
The IUPAC name of (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine (CID 124746241) is (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine.
What is the SMILES notation for (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine?
The canonical SMILES for (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine is CCS(=O)(=O)[C@@H]1[C@H](N)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine?
The InChIKey is KVMCSSHMWXSLEN-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-2-16(14,15)11-9(10(11)13)7-3-5-8(12)6-4-7/h3-6,9-11H,2,13H2,1H3/t9-,10-,11+/m1/s1.
What are the key properties of (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine?
(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine has a molecular weight of 259.76 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine is sourced from PubChem (CID 124746241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).