cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide

C16H19NO4S — CID 146146428

IUPACcis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2c1OCCC2)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C16H19NO4S/c18-16(13-9-12(13)10-6-7-10)17-22(19,20)14-5-1-3-11-4-2-8-21-15(11)14/h1,3,5,10,12-13H,2,4,6-9H2,(H,17,18)/t12-,13+/m0/s1
InChIKeyAZXWVUPXYHIQHS-QWHCGFSZSA-N
MW321.40 g/mol
LogP1.86
Rot. Bonds4

About cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 146146428) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide
PubChem CID146146428
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Namecis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2c1OCCC2)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C16H19NO4S/c18-16(13-9-12(13)10-6-7-10)17-22(19,20)14-5-1-3-11-4-2-8-21-15(11)14/h1,3,5,10,12-13H,2,4,6-9H2,(H,17,18)/t12-,13+/m0/s1
InChIKeyAZXWVUPXYHIQHS-QWHCGFSZSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromene-8-sulfonic acid;hydrochloride
CID 174945642
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
CID 138004479
cis-(1R,2S)-2-cyclopropyl-N-(4-cyclopropylphenyl)sulfonylcyclopropane-1-carboxamide
CID 146146413
cis-(1R,2S)-2-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708540
N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 138018110
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)piperidine-4-carboxylic acid
CID 122101452
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
cis-(1R,2S)-N-[(5-bromo-2-pyridinyl)sulfonyl]-2-cyclobutylcyclopropane-1-carboxamide
CID 154763032
N-(3,4-dihydro-2H-chromen-8-yl)hydroxylamine
CID 57275899
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634
1-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 139013799

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide (CID 146146428) is cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1cccc2c1OCCC2)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is AZXWVUPXYHIQHS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19NO4S/c18-16(13-9-12(13)10-6-7-10)17-22(19,20)14-5-1-3-11-4-2-8-21-15(11)14/h1,3,5,10,12-13H,2,4,6-9H2,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146146428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).