3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

C15H22N2O3S — CID 75376849

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCC1OCCc2sccc21
InChIInChI=1S/C15H22N2O3S/c1-17(9-11-2-5-19-10-11)15(18)16-8-13-12-4-7-21-14(12)3-6-20-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3,(H,16,18)
InChIKeyRUGKCLQXXDRTFD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.04
Rot. Bonds4

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea

3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 75376849) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID75376849
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)NCC1OCCc2sccc21
InChIInChI=1S/C15H22N2O3S/c1-17(9-11-2-5-19-10-11)15(18)16-8-13-12-4-7-21-14(12)3-6-20-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3,(H,16,18)
InChIKeyRUGKCLQXXDRTFD-UHFFFAOYSA-N
XLogP2.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea with MolForge

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Related Compounds

3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
CID 136572491
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 71870635
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97224594
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 75376849) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)NCC1OCCc2sccc21.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is RUGKCLQXXDRTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-17(9-11-2-5-19-10-11)15(18)16-8-13-12-4-7-21-14(12)3-6-20-13/h4,7,11,13H,2-3,5-6,8-10H2,1H3,(H,16,18).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 310.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 75376849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).