1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea

C15H22N2O2S2 — CID 97224594

IUPAC1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@]1(CNC(=O)NC[C@@H]2OCCc3sccc32)CCCS1
InChIInChI=1S/C15H22N2O2S2/c1-15(5-2-7-21-15)10-17-14(18)16-9-12-11-4-8-20-13(11)3-6-19-12/h4,8,12H,2-3,5-7,9-10H2,1H3,(H2,16,17,18)/t12-,15-/m0/s1
InChIKeyFHVAQWBBTDMOPI-WFASDCNBSA-N
MW326.49 g/mol
LogP2.95
Rot. Bonds4

About 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea

1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea (PubChem CID 97224594) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
PubChem CID97224594
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
SMILESC[C@@]1(CNC(=O)NC[C@@H]2OCCc3sccc32)CCCS1
InChIInChI=1S/C15H22N2O2S2/c1-15(5-2-7-21-15)10-17-14(18)16-9-12-11-4-8-20-13(11)3-6-19-12/h4,8,12H,2-3,5-7,9-10H2,1H3,(H2,16,17,18)/t12-,15-/m0/s1
InChIKeyFHVAQWBBTDMOPI-WFASDCNBSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The IUPAC name of 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea (CID 97224594) is 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The canonical SMILES for 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea is C[C@@]1(CNC(=O)NC[C@@H]2OCCc3sccc32)CCCS1.
What is the InChIKey of 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
The InChIKey is FHVAQWBBTDMOPI-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-15(5-2-7-21-15)10-17-14(18)16-9-12-11-4-8-20-13(11)3-6-19-12/h4,8,12H,2-3,5-7,9-10H2,1H3,(H2,16,17,18)/t12-,15-/m0/s1.
What are the key properties of 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea?
1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea has a molecular weight of 326.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea is sourced from PubChem (CID 97224594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).