trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide

C15H18ClNO3S — CID 95760742

IUPACtrans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3S/c16-11-3-1-10(2-4-11)13-9-14(13)15(18)17-12-5-7-21(19,20)8-6-12/h1-4,12-14H,5-9H2,(H,17,18)/t13-,14+/m0/s1
InChIKeyRYISGIFAUJZMGO-UONOGXRCSA-N
MW327.83 g/mol
LogP2.14
Rot. Bonds3

About trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide (PubChem CID 95760742) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide
PubChem CID95760742
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3S/c16-11-3-1-10(2-4-11)13-9-14(13)15(18)17-12-5-7-21(19,20)8-6-12/h1-4,12-14H,5-9H2,(H,17,18)/t13-,14+/m0/s1
InChIKeyRYISGIFAUJZMGO-UONOGXRCSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474817
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
5-chloro-N-(1,1-dioxothian-4-yl)-2-hydrazinylbenzamide
CID 62237430
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119449999

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide (CID 95760742) is trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide?
The InChIKey is RYISGIFAUJZMGO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c16-11-3-1-10(2-4-11)13-9-14(13)15(18)17-12-5-7-21(19,20)8-6-12/h1-4,12-14H,5-9H2,(H,17,18)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide has a molecular weight of 327.83 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-chlorophenyl)-N-(1,1-dioxothian-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95760742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).