cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide

C16H19NO3S — CID 146146413

IUPACcis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2CC2)cc1)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C16H19NO3S/c18-16(15-9-14(15)12-3-4-12)17-21(19,20)13-7-5-11(6-8-13)10-1-2-10/h5-8,10,12,14-15H,1-4,9H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyWRKYYCZEEGHVFI-LSDHHAIUSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds5

About cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 146146413) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID146146413
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Namecis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C2CC2)cc1)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C16H19NO3S/c18-16(15-9-14(15)12-3-4-12)17-21(19,20)13-7-5-11(6-8-13)10-1-2-10/h5-8,10,12,14-15H,1-4,9H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyWRKYYCZEEGHVFI-LSDHHAIUSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 136583205
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CID 46179849
cis-(1R,2S)-2-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708540
N-[4-(4-hydroxycyclohexyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 142776977
cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
CID 154763032
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95326959
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 78904587
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
N-(2-cyclopentylethylsulfonyl)-2-cyclopropylcyclopropane-1-carboxamide
CID 136546788

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide (CID 146146413) is cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(C2CC2)cc1)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is WRKYYCZEEGHVFI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-16(15-9-14(15)12-3-4-12)17-21(19,20)13-7-5-11(6-8-13)10-1-2-10/h5-8,10,12,14-15H,1-4,9H2,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 146146413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).