3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea

C12H18N2OS — CID 38210636

IUPAC3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N2OS/c1-14(9-11-7-4-8-16-11)12(15)13-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15)
InChIKeyNWQDZMAGSKYTAL-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.83
Rot. Bonds3

About 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea

3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 38210636) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID38210636
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N2OS/c1-14(9-11-7-4-8-16-11)12(15)13-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15)
InChIKeyNWQDZMAGSKYTAL-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 38210636) is 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is NWQDZMAGSKYTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(9-11-7-4-8-16-11)12(15)13-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,13,15).
What are the key properties of 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 238.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 38210636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).