(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C16H16N2O3S2 — CID 124889039

IUPAC(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)s1
InChIInChI=1S/C16H16N2O3S2/c1-10-17-9-14(22-10)23(20,21)18-15(19)13-8-16(13)7-6-11-4-2-3-5-12(11)16/h2-5,9,13H,6-8H2,1H3,(H,18,19)/t13-,16-/m1/s1
InChIKeyGRNKZUBKDZMPBB-CZUORRHYSA-N
MW348.45 g/mol
LogP2.16
Rot. Bonds3

About (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 124889039) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID124889039
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)s1
InChIInChI=1S/C16H16N2O3S2/c1-10-17-9-14(22-10)23(20,21)18-15(19)13-8-16(13)7-6-11-4-2-3-5-12(11)16/h2-5,9,13H,6-8H2,1H3,(H,18,19)/t13-,16-/m1/s1
InChIKeyGRNKZUBKDZMPBB-CZUORRHYSA-N
XLogP2.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 124889039) is (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)[C@H]2C[C@@]23CCc2ccccc23)s1.
What is the InChIKey of (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is GRNKZUBKDZMPBB-CZUORRHYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-17-9-14(22-10)23(20,21)18-15(19)13-8-16(13)7-6-11-4-2-3-5-12(11)16/h2-5,9,13H,6-8H2,1H3,(H,18,19)/t13-,16-/m1/s1.
What are the key properties of (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
(1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 124889039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).