2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile

C15H14N2O2S3 — CID 2819422

IUPAC2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile
SMILESCSc1sc(C(=O)N2CCOCC2)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N2O2S3/c1-20-15-10(9-16)12(11-3-2-8-21-11)13(22-15)14(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyROBMOHLEDHXOCM-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.54
Rot. Bonds3

About 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile

2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile (PubChem CID 2819422) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile
PubChem CID2819422
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC Name2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile
SMILESCSc1sc(C(=O)N2CCOCC2)c(-c2cccs2)c1C#N
InChIInChI=1S/C15H14N2O2S3/c1-20-15-10(9-16)12(11-3-2-8-21-11)13(22-15)14(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyROBMOHLEDHXOCM-UHFFFAOYSA-N
XLogP3.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Thiophene-3-carbonitrile, 2-methylthio-5-(1-piperidinylcarbonyl)-4-(2-thienyl)-
CID 617079
N2-cyclopropylmethyl-4-cyano-5-(methylthio)-3-(2-thienyl)thiophene-2-carboxamide
CID 2819421
(8-Cyano-7-methylsulfanyl-4-oxo-4H-1,6-dithia-5-aza-as-indacen-5-yl)-acetic acid ethyl ester
CID 632501
(3,4-Dimethylthieno[2,3-b]thiophen-5-yl)-morpholin-4-ylmethanone
CID 2820168
Morpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690064
Thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690079
Cambridge id 6988043
CID 802595
3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2621622
Morpholin-4-yl-(5-thiophen-2-ylthiophen-2-yl)methanone
CID 2740025
4-cyano-5-methylsulfanyl-N-propan-2-yl-3-thiophen-2-ylthiophene-2-carboxamide
CID 2819420
Morpholine, 4-[(5-phenyl-2-thienyl)carbonyl]-
CID 6625314
3-Cyano-N-methyl-N-[(thiophen-3-YL)methyl]benzamide
CID 18110376

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile (CID 2819422) is 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile is CSc1sc(C(=O)N2CCOCC2)c(-c2cccs2)c1C#N.
What is the InChIKey of 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile?
The InChIKey is ROBMOHLEDHXOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-20-15-10(9-16)12(11-3-2-8-21-11)13(22-15)14(18)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile?
2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile has a molecular weight of 350.49 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(morpholine-4-carbonyl)-4-thiophen-2-ylthiophene-3-carbonitrile is sourced from PubChem (CID 2819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).