N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C14H18N2O2S2 — CID 80709334

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2O2S2/c1-18-7-6-16(5-2-4-15)14(17)13-9-11-10-19-8-3-12(11)20-13/h9H,2-3,5-8,10H2,1H3
InChIKeyFJTQEIFRJXEQRL-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.54
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 80709334) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID80709334
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2O2S2/c1-18-7-6-16(5-2-4-15)14(17)13-9-11-10-19-8-3-12(11)20-13/h9H,2-3,5-8,10H2,1H3
InChIKeyFJTQEIFRJXEQRL-UHFFFAOYSA-N
XLogP2.54
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 63237302
N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81260772
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
2-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(propyl)amino]acetic acid
CID 81269968
N-(2-cyanoethyl)-N-(2-methylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60654395
N-(2-bromo-3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113274560
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)acetate
CID 80708882
4-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(methyl)amino]butanoic acid
CID 81269516
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
N-(2-cyanoethyl)-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 54996784
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266545
2-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 81268441

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 80709334) is N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is COCCN(CCC#N)C(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is FJTQEIFRJXEQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-18-7-6-16(5-2-4-15)14(17)13-9-11-10-19-8-3-12(11)20-13/h9H,2-3,5-8,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 80709334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).