N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide

C19H26N2O2S — CID 119940333

IUPACN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O2S/c22-18(11-14-13-24-10-9-20-14)21-16-12-19(7-3-4-8-19)23-17-6-2-1-5-15(16)17/h1-2,5-6,14,16,20H,3-4,7-13H2,(H,21,22)
InChIKeyRTWRLFLOKIBJJG-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.03
Rot. Bonds3

About N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide

N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide (PubChem CID 119940333) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide
PubChem CID119940333
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C19H26N2O2S/c22-18(11-14-13-24-10-9-20-14)21-16-12-19(7-3-4-8-19)23-17-6-2-1-5-15(16)17/h1-2,5-6,14,16,20H,3-4,7-13H2,(H,21,22)
InChIKeyRTWRLFLOKIBJJG-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
CID 119341941
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
2-(2-oxopyrrolidin-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99626194
N-(1-phenylcyclobutyl)-2-thiomorpholin-3-ylacetamide
CID 119935796
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-(4-methyl-1,4-diazepan-1-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 125155552
2-(3-oxomorpholin-4-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 124889807

Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide (CID 119940333) is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide?
The InChIKey is RTWRLFLOKIBJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-18(11-14-13-24-10-9-20-14)21-16-12-19(7-3-4-8-19)23-17-6-2-1-5-15(16)17/h1-2,5-6,14,16,20H,3-4,7-13H2,(H,21,22).
What are the key properties of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide?
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide has a molecular weight of 346.50 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).