6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid

C9H11NO3S — CID 67257932

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1OCCc2sccc21
InChIInChI=1S/C9H11NO3S/c1-10(9(11)12)8-6-3-5-14-7(6)2-4-13-8/h3,5,8H,2,4H2,1H3,(H,11,12)
InChIKeyHVHPGIMNDGORQG-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.93
Rot. Bonds1

About 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid

6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid (PubChem CID 67257932) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid
PubChem CID67257932
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1OCCc2sccc21
InChIInChI=1S/C9H11NO3S/c1-10(9(11)12)8-6-3-5-14-7(6)2-4-13-8/h3,5,8H,2,4H2,1H3,(H,11,12)
InChIKeyHVHPGIMNDGORQG-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N,N-dimethyl-5,7-dihydrothieno[2,3-c]pyran-7-amine
CID 175827421
tert-butyl 6-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 134965945
Ethyl 5-boc-4,5,6,7-tetrahydrothieno[3,2-C]pyridine-2-methanol
CID 11845606
benzyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 22117413
4-ethoxy-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 53638963
Spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylic acid
CID 67168714
N-cyclohexyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-amine
CID 67255292
tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid
CID 67255675
(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
CID 67256429
tert-butyl (2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamate
CID 67256514
ethyl N-cyclopropyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
CID 67256790
ethyl N-cyclohexyl-N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)carbamate
CID 67257361

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid (CID 67257932) is 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid is CN(C(=O)O)C1OCCc2sccc21.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid?
The InChIKey is HVHPGIMNDGORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-10(9(11)12)8-6-3-5-14-7(6)2-4-13-8/h3,5,8H,2,4H2,1H3,(H,11,12).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid?
6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid has a molecular weight of 213.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid is sourced from PubChem (CID 67257932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).