1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea

C11H16N2OS — CID 47125498

IUPAC1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C11H16N2OS/c1-8(9-4-5-9)13-11(14)12-7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,13,14)
InChIKeyWSNGDWGBZSYYHN-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea

1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 47125498) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID47125498
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C11H16N2OS/c1-8(9-4-5-9)13-11(14)12-7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,13,14)
InChIKeyWSNGDWGBZSYYHN-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
1-[(2R)-1-methoxypropan-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 94744411
(2S,3R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 104965843
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
methyl (2S)-3-methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate
CID 663465
2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81318367
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
(2R)-3-hydroxy-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 80757322
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea (CID 47125498) is 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea is CC(NC(=O)NCc1cccs1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is WSNGDWGBZSYYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(9-4-5-9)13-11(14)12-7-10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea?
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 224.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 47125498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).