3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea

C15H22N2O2S — CID 97311689

IUPAC3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea
SMILESCOC[C@H](C)N(C)C(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-11(10-19-3)17(2)15(18)16-13-8-9-20-14-7-5-4-6-12(13)14/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyFEIUZLMJKBWZNG-WCQYABFASA-N
MW294.42 g/mol
LogP2.90
Rot. Bonds4

About 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea

3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea (PubChem CID 97311689) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea
PubChem CID97311689
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea
SMILESCOC[C@H](C)N(C)C(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-11(10-19-3)17(2)15(18)16-13-8-9-20-14-7-5-4-6-12(13)14/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyFEIUZLMJKBWZNG-WCQYABFASA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea with MolForge

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Related Compounds

3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133817
3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133818
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94027112
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(propan-2-ylamino)propanamide
CID 60854166
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7678552
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 51935223
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 42952555

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea?
The IUPAC name of 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea (CID 97311689) is 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea?
The canonical SMILES for 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea is COC[C@H](C)N(C)C(=O)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea?
The InChIKey is FEIUZLMJKBWZNG-WCQYABFASA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(10-19-3)17(2)15(18)16-13-8-9-20-14-7-5-4-6-12(13)14/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11-,13+/m0/s1.
What are the key properties of 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea?
3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea has a molecular weight of 294.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1-[(2S)-1-methoxypropan-2-yl]-1-methylurea is sourced from PubChem (CID 97311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).