1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea

C10H16N2O2S — CID 94744411

IUPAC1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC[C@@H](C)NC(=O)NCc1cccs1
InChIInChI=1S/C10H16N2O2S/c1-8(7-14-2)12-10(13)11-6-9-4-3-5-15-9/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13)/t8-/m1/s1
InChIKeyDIHITWQHLCEMAB-MRVPVSSYSA-N
MW228.32 g/mol
LogP1.58
Rot. Bonds5

About 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea

1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 94744411) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID94744411
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCOC[C@@H](C)NC(=O)NCc1cccs1
InChIInChI=1S/C10H16N2O2S/c1-8(7-14-2)12-10(13)11-6-9-4-3-5-15-9/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13)/t8-/m1/s1
InChIKeyDIHITWQHLCEMAB-MRVPVSSYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
methyl (2S)-3-methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate
CID 663465
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
(2S)-4-methoxy-4-oxo-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 63304895
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
1-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 131904680
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea (CID 94744411) is 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea is COC[C@@H](C)NC(=O)NCc1cccs1.
What is the InChIKey of 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is DIHITWQHLCEMAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(7-14-2)12-10(13)11-6-9-4-3-5-15-9/h3-5,8H,6-7H2,1-2H3,(H2,11,12,13)/t8-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea?
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 228.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 94744411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).