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

C14H21NO2S2 — CID 81260772

IUPACN-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H21NO2S2/c1-2-3-5-15(6-7-16)14(17)13-9-11-10-18-8-4-12(11)19-13/h9,16H,2-8,10H2,1H3
InChIKeyFCUYNTRYCBQNRL-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.77
Rot. Bonds6

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

N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81260772) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81260772
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC NameN-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H21NO2S2/c1-2-3-5-15(6-7-16)14(17)13-9-11-10-18-8-4-12(11)19-13/h9,16H,2-8,10H2,1H3
InChIKeyFCUYNTRYCBQNRL-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(propyl)amino]acetic acid
CID 81269968
4-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(methyl)amino]butanoic acid
CID 81269516
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80709334
N-piperidin-4-yl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266924
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
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-one
CID 114968789
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261928
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-ethylthiophen-2-yl)methanone
CID 81269669

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81260772) is N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is CCCCN(CCO)C(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is FCUYNTRYCBQNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-2-3-5-15(6-7-16)14(17)13-9-11-10-18-8-4-12(11)19-13/h9,16H,2-8,10H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81260772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).