1-(cyclopropylmethyl)-3-thiophen-2-ylurea

C9H12N2OS — CID 2815459

IUPAC1-(cyclopropylmethyl)-3-thiophen-2-ylurea
SMILESO=C(NCC1CC1)Nc1cccs1
InChIInChI=1S/C9H12N2OS/c12-9(10-6-7-3-4-7)11-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12)
InChIKeyRGOQFRAPAXUTIU-UHFFFAOYSA-N
MW196.28 g/mol
LogP2.28
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-thiophen-2-ylurea

1-(cyclopropylmethyl)-3-thiophen-2-ylurea (PubChem CID 2815459) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-thiophen-2-ylurea
PubChem CID2815459
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-(cyclopropylmethyl)-3-thiophen-2-ylurea
SMILESO=C(NCC1CC1)Nc1cccs1
InChIInChI=1S/C9H12N2OS/c12-9(10-6-7-3-4-7)11-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12)
InChIKeyRGOQFRAPAXUTIU-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-thiophen-2-ylurea (CID 2815459) is 1-(cyclopropylmethyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-thiophen-2-ylurea is O=C(NCC1CC1)Nc1cccs1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-thiophen-2-ylurea?
The InChIKey is RGOQFRAPAXUTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(10-6-7-3-4-7)11-8-2-1-5-13-8/h1-2,5,7H,3-4,6H2,(H2,10,11,12).
What are the key properties of 1-(cyclopropylmethyl)-3-thiophen-2-ylurea?
1-(cyclopropylmethyl)-3-thiophen-2-ylurea has a molecular weight of 196.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 2815459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).