cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide

C17H23ClN2O3S — CID 52523974

IUPACcis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O3S/c1-2-24(22,23)20-8-6-14(7-9-20)19-17(21)16-11-15(16)12-4-3-5-13(18)10-12/h3-5,10,14-16H,2,6-9,11H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyFZTQFZPQSGILIB-HOTGVXAUSA-N
MW370.90 g/mol
LogP2.37
Rot. Bonds5

About cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 52523974) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID52523974
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Namecis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H23ClN2O3S/c1-2-24(22,23)20-8-6-14(7-9-20)19-17(21)16-11-15(16)12-4-3-5-13(18)10-12/h3-5,10,14-16H,2,6-9,11H2,1H3,(H,19,21)/t15-,16-/m0/s1
InChIKeyFZTQFZPQSGILIB-HOTGVXAUSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119506444
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 95180005
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
2-(3-chlorophenyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 49157849
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95055116
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
CID 49195798
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856
3-chloro-N-[1-(dimethylsulfamoyl)piperidin-4-yl]benzamide
CID 110823144

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 52523974) is cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1.
What is the InChIKey of cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is FZTQFZPQSGILIB-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c1-2-24(22,23)20-8-6-14(7-9-20)19-17(21)16-11-15(16)12-4-3-5-13(18)10-12/h3-5,10,14-16H,2,6-9,11H2,1H3,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 370.90 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-chlorophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52523974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).