3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

C11H16N2OS — CID 47127701

IUPAC3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC1CC1
InChIInChI=1S/C11H16N2OS/c1-8-5-6-15-10(8)7-13(2)11(14)12-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyXYWSOXXCOYTFDL-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.36
Rot. Bonds3

About 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea

3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 47127701) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID47127701
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
SMILESCc1ccsc1CN(C)C(=O)NC1CC1
InChIInChI=1S/C11H16N2OS/c1-8-5-6-15-10(8)7-13(2)11(14)12-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyXYWSOXXCOYTFDL-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 167776323
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 95134232
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 122565612
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea (CID 47127701) is 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is Cc1ccsc1CN(C)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is XYWSOXXCOYTFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-6-15-10(8)7-13(2)11(14)12-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea?
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 224.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 47127701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).