(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C17H21NO4S — CID 124885267

IUPAC(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCC1)[C@H]1C[C@@]12CCOc1ccccc12
InChIInChI=1S/C17H21NO4S/c19-16(18-23(20,21)12-5-1-2-6-12)14-11-17(14)9-10-22-15-8-4-3-7-13(15)17/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,18,19)/t14-,17-/m1/s1
InChIKeyFGWLPFZSQZTBTM-RHSMWYFYSA-N
MW335.43 g/mol
LogP2.12
Rot. Bonds3

About (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 124885267) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID124885267
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCC1)[C@H]1C[C@@]12CCOc1ccccc12
InChIInChI=1S/C17H21NO4S/c19-16(18-23(20,21)12-5-1-2-6-12)14-11-17(14)9-10-22-15-8-4-3-7-13(15)17/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,18,19)/t14-,17-/m1/s1
InChIKeyFGWLPFZSQZTBTM-RHSMWYFYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 120827446
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]cyclohexanesulfonamide
CID 90535803
(2S)-3-phenyl-2-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119366387
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 154736325
(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127265809
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
N-(3-methoxy-6-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127395770
(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 126797479
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 120882894
(1'R,4S)-N-[2-(pyridin-4-ylamino)phenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 166208185
[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
CID 124512943

Frequently Asked Questions

What is the IUPAC name of (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 124885267) is (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is O=C(NS(=O)(=O)C1CCCC1)[C@H]1C[C@@]12CCOc1ccccc12.
What is the InChIKey of (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is FGWLPFZSQZTBTM-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H21NO4S/c19-16(18-23(20,21)12-5-1-2-6-12)14-11-17(14)9-10-22-15-8-4-3-7-13(15)17/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,18,19)/t14-,17-/m1/s1.
What are the key properties of (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 124885267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).