1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H22N2OS — CID 2999174

IUPAC1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,15,16,17)
InChIKeyYPQUCWCACHQINQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.31
Rot. Bonds4

About 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea

1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 2999174) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID2999174
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,15,16,17)
InChIKeyYPQUCWCACHQINQ-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
((Thiophen-2-yl)methyl)urea
CID 2799110
(2-(Thiophen-2-yl)ethyl)urea
CID 4962323
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310349
1-(3-Phenylpropyl)-3-(thiophen-2-ylmethyl)urea
CID 47125977
1-(3-Phenylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 47134017

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 2999174) is 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is YPQUCWCACHQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(10-13-8-5-9-18-13)15-14(17)16-12-6-3-2-4-7-12/h5,8-9,11-12H,2-4,6-7,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 266.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 2999174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).