2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide

C19H27NO2S — CID 4160243

IUPAC2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CC2(CCCC2)Oc2ccc(C)cc21
InChIInChI=1S/C19H27NO2S/c1-3-10-20-18(21)13-23-17-12-19(8-4-5-9-19)22-16-7-6-14(2)11-15(16)17/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyWIGFCKRXRVHQDE-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.39
Rot. Bonds5

About 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide

2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide (PubChem CID 4160243) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide
PubChem CID4160243
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSC1CC2(CCCC2)Oc2ccc(C)cc21
InChIInChI=1S/C19H27NO2S/c1-3-10-20-18(21)13-23-17-12-19(8-4-5-9-19)22-16-7-6-14(2)11-15(16)17/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3,(H,20,21)
InChIKeyWIGFCKRXRVHQDE-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide (CID 4160243) is 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSC1CC2(CCCC2)Oc2ccc(C)cc21.
What is the InChIKey of 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is WIGFCKRXRVHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-3-10-20-18(21)13-23-17-12-19(8-4-5-9-19)22-16-7-6-14(2)11-15(16)17/h6-7,11,17H,3-5,8-10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide?
2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 333.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 4160243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).