(4-thiophen-2-ylcyclohexyl)methylurea

C12H18N2OS — CID 155199941

IUPAC(4-thiophen-2-ylcyclohexyl)methylurea
SMILESNC(=O)NCC1CCC(c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c13-12(15)14-8-9-3-5-10(6-4-9)11-2-1-7-16-11/h1-2,7,9-10H,3-6,8H2,(H3,13,14,15)
InChIKeyVRXJYVGRCAYDSF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.69
Rot. Bonds3

About (4-thiophen-2-ylcyclohexyl)methylurea

(4-thiophen-2-ylcyclohexyl)methylurea (PubChem CID 155199941) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (4-thiophen-2-ylcyclohexyl)methylurea.

Molecular Properties

Compound Name(4-thiophen-2-ylcyclohexyl)methylurea
PubChem CID155199941
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(4-thiophen-2-ylcyclohexyl)methylurea
SMILESNC(=O)NCC1CCC(c2cccs2)CC1
InChIInChI=1S/C12H18N2OS/c13-12(15)14-8-9-3-5-10(6-4-9)11-2-1-7-16-11/h1-2,7,9-10H,3-6,8H2,(H3,13,14,15)
InChIKeyVRXJYVGRCAYDSF-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-thiophen-2-ylcyclopentyl)ethanamine
CID 82281950
2-amino-N-(cyclopentylmethyl)-2-thiophen-2-ylacetamide
CID 115286039
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
ethyl 4-[[(2-thiophen-2-ylazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 22586941
2-[4-(4-propylcyclohexyl)cyclohexyl]thiophene
CID 143775690
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
2-amino-N-(thian-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 113487602
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
2-(cyclopropylmethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone
CID 119757315

Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-ylcyclohexyl)methylurea?
The IUPAC name of (4-thiophen-2-ylcyclohexyl)methylurea (CID 155199941) is (4-thiophen-2-ylcyclohexyl)methylurea.
What is the SMILES notation for (4-thiophen-2-ylcyclohexyl)methylurea?
The canonical SMILES for (4-thiophen-2-ylcyclohexyl)methylurea is NC(=O)NCC1CCC(c2cccs2)CC1.
What is the InChIKey of (4-thiophen-2-ylcyclohexyl)methylurea?
The InChIKey is VRXJYVGRCAYDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-12(15)14-8-9-3-5-10(6-4-9)11-2-1-7-16-11/h1-2,7,9-10H,3-6,8H2,(H3,13,14,15).
What are the key properties of (4-thiophen-2-ylcyclohexyl)methylurea?
(4-thiophen-2-ylcyclohexyl)methylurea has a molecular weight of 238.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylcyclohexyl)methylurea is sourced from PubChem (CID 155199941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).