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

C17H27N3O2S — CID 134056877

IUPAC1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H27N3O2S/c21-16(18-13-15-5-4-12-23-15)19-14-17(6-2-1-3-7-17)20-8-10-22-11-9-20/h4-5,12H,1-3,6-11,13-14H2,(H2,18,19,21)
InChIKeyPXOZHWHHJQIYJS-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.58
Rot. Bonds5

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

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 134056877) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID134056877
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H27N3O2S/c21-16(18-13-15-5-4-12-23-15)19-14-17(6-2-1-3-7-17)20-8-10-22-11-9-20/h4-5,12H,1-3,6-11,13-14H2,(H2,18,19,21)
InChIKeyPXOZHWHHJQIYJS-UHFFFAOYSA-N
XLogP2.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-morpholin-4-ylthian-4-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139027820
2-methyl-1-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111829711
2-methyl-1-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111259585
N-[3-methyl-1-[(1-morpholin-4-ylcyclohexyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46817755
5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26349314
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
(2R)-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(thiophen-2-ylsulfonylamino)butanamide
CID 37259849
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 31759283
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028

Frequently Asked Questions

What is the IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea (CID 134056877) is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is PXOZHWHHJQIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c21-16(18-13-15-5-4-12-23-15)19-14-17(6-2-1-3-7-17)20-8-10-22-11-9-20/h4-5,12H,1-3,6-11,13-14H2,(H2,18,19,21).
What are the key properties of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea?
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 337.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 134056877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).