1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea

C18H28N2O2S — CID 111440825

IUPAC1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CCCCC1)NC1CCC(O)CC1
InChIInChI=1S/C18H28N2O2S/c21-15-8-6-14(7-9-15)20-17(22)19-13-18(10-2-1-3-11-18)16-5-4-12-23-16/h4-5,12,14-15,21H,1-3,6-11,13H2,(H2,19,20,22)
InChIKeyXIFTYEQTFQACOP-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea

1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea (PubChem CID 111440825) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
PubChem CID111440825
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CCCCC1)NC1CCC(O)CC1
InChIInChI=1S/C18H28N2O2S/c21-15-8-6-14(7-9-15)20-17(22)19-13-18(10-2-1-3-11-18)16-5-4-12-23-16/h4-5,12,14-15,21H,1-3,6-11,13H2,(H2,19,20,22)
InChIKeyXIFTYEQTFQACOP-UHFFFAOYSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111631122
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 91812758
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea (CID 111440825) is 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea is O=C(NCC1(c2cccs2)CCCCC1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea?
The InChIKey is XIFTYEQTFQACOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c21-15-8-6-14(7-9-15)20-17(22)19-13-18(10-2-1-3-11-18)16-5-4-12-23-16/h4-5,12,14-15,21H,1-3,6-11,13H2,(H2,19,20,22).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea?
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea has a molecular weight of 336.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 111440825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).