tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid

C13H19NO3S — CID 67255675

IUPACtert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid
SMILESCC(C)(C)N(CC1OCCc2sccc21)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,3)14(12(15)16)8-10-9-5-7-18-11(9)4-6-17-10/h5,7,10H,4,6,8H2,1-3H3,(H,15,16)
InChIKeySNUKEIVSRUHVRI-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid

tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid (PubChem CID 67255675) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid
PubChem CID67255675
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Nametert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid
SMILESCC(C)(C)N(CC1OCCc2sccc21)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-13(2,3)14(12(15)16)8-10-9-5-7-18-11(9)4-6-17-10/h5,7,10H,4,6,8H2,1-3H3,(H,15,16)
InChIKeySNUKEIVSRUHVRI-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid?
The IUPAC name of tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid (CID 67255675) is tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid.
What is the SMILES notation for tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid?
The canonical SMILES for tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid is CC(C)(C)N(CC1OCCc2sccc21)C(=O)O.
What is the InChIKey of tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid?
The InChIKey is SNUKEIVSRUHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,3)14(12(15)16)8-10-9-5-7-18-11(9)4-6-17-10/h5,7,10H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid?
tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid has a molecular weight of 269.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)carbamic acid is sourced from PubChem (CID 67255675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).