1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

C18H24N4OS — CID 38281830

IUPAC1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C18H24N4OS/c19-13-15-3-5-16(6-4-15)21-17(23)20-14-18(7-1-2-8-18)22-9-11-24-12-10-22/h3-6H,1-2,7-12,14H2,(H2,20,21,23)
InChIKeyNHKFAIZJORPBFM-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea

1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (PubChem CID 38281830) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
PubChem CID38281830
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1
InChIInChI=1S/C18H24N4OS/c19-13-15-3-5-16(6-4-15)21-17(23)20-14-18(7-1-2-8-18)22-9-11-24-12-10-22/h3-6H,1-2,7-12,14H2,(H2,20,21,23)
InChIKeyNHKFAIZJORPBFM-UHFFFAOYSA-N
XLogP3.04
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 86873399
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
2-(4-cyanophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2426774
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-(4-cyanophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 38275681
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
N-(4-cyanophenyl)-4-(1,4-thiazepan-4-yl)butanamide
CID 61419822
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea (CID 38281830) is 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is N#Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
The InChIKey is NHKFAIZJORPBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-13-15-3-5-16(6-4-15)21-17(23)20-14-18(7-1-2-8-18)22-9-11-24-12-10-22/h3-6H,1-2,7-12,14H2,(H2,20,21,23).
What are the key properties of 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea?
1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea has a molecular weight of 344.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 38281830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).