N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide

C8H13NO2S — CID 126996460

IUPACN-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide
SMILESO=C(NCCO)C1=CCCSC1
InChIInChI=1S/C8H13NO2S/c10-4-3-9-8(11)7-2-1-5-12-6-7/h2,10H,1,3-6H2,(H,9,11)
InChIKeyYSYSAXBELFKDGG-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.16
Rot. Bonds3

About N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide

N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide (PubChem CID 126996460) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide
PubChem CID126996460
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide
SMILESO=C(NCCO)C1=CCCSC1
InChIInChI=1S/C8H13NO2S/c10-4-3-9-8(11)7-2-1-5-12-6-7/h2,10H,1,3-6H2,(H,9,11)
InChIKeyYSYSAXBELFKDGG-UHFFFAOYSA-N
XLogP0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide (CID 126996460) is N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide is O=C(NCCO)C1=CCCSC1.
What is the InChIKey of N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide?
The InChIKey is YSYSAXBELFKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c10-4-3-9-8(11)7-2-1-5-12-6-7/h2,10H,1,3-6H2,(H,9,11).
What are the key properties of N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide?
N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide has a molecular weight of 187.26 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,6-dihydro-2H-thiopyran-5-carboxamide is sourced from PubChem (CID 126996460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).