N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C12H17NO2S2 — CID 113351917

IUPACN-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H17NO2S2/c1-2-9(6-14)13-12(15)11-5-8-7-16-4-3-10(8)17-11/h5,9,14H,2-4,6-7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyBIZYJKPKAZNPON-SECBINFHSA-N
MW271.41 g/mol
LogP2.04
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 113351917) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID113351917
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H17NO2S2/c1-2-9(6-14)13-12(15)11-5-8-7-16-4-3-10(8)17-11/h5,9,14H,2-4,6-7H2,1H3,(H,13,15)/t9-/m1/s1
InChIKeyBIZYJKPKAZNPON-SECBINFHSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide with MolForge

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Related Compounds

N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
N-(1-hydroxybutan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 3525896
N-(2-hydroxyethyl)-4H,5H,6H-cyclopenta[b]thiophene-2-carboxamide
CID 3868055
N-(1,2,2-trimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2971294
phenyl-N-(2-thienylethyl)carboxamide
CID 3128904
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 3865055
N-(2-methoxyethyl)-5-(propan-2-yl)thiophene-3-carboxamide
CID 17217430
5-ethyl-N-(pentan-2-yl)thiophene-3-carboxamide
CID 3664712
4-ethyl-N-(1-hydroxybutan-2-yl)-5-methylthiophene-2-carboxamide
CID 43391463
TAK-418 derivertive
CID 165368445
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(methylthio)benzamide
CID 52992609
5-acetyl-N-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 53014483

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 113351917) is N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is CC[C@H](CO)NC(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is BIZYJKPKAZNPON-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-2-9(6-14)13-12(15)11-5-8-7-16-4-3-10(8)17-11/h5,9,14H,2-4,6-7H2,1H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 113351917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).