1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea

C19H29N3OS — CID 71894125

IUPAC1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCSCC2)cc1)NC1CCCCCC1
InChIInChI=1S/C19H29N3OS/c23-19(21-17-5-3-1-2-4-6-17)20-15-16-7-9-18(10-8-16)22-11-13-24-14-12-22/h7-10,17H,1-6,11-15H2,(H2,20,21,23)
InChIKeySKGWKPLXNBDKOI-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.76
Rot. Bonds4

About 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea

1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea (PubChem CID 71894125) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
PubChem CID71894125
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(N2CCSCC2)cc1)NC1CCCCCC1
InChIInChI=1S/C19H29N3OS/c23-19(21-17-5-3-1-2-4-6-17)20-15-16-7-9-18(10-8-16)22-11-13-24-14-12-22/h7-10,17H,1-6,11-15H2,(H2,20,21,23)
InChIKeySKGWKPLXNBDKOI-UHFFFAOYSA-N
XLogP3.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyrazolidin-4-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 75134247
1-cyclopentyl-2-methyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 110992223
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
1-cyclopentyl-3-ethyl-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 110992225
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea (CID 71894125) is 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea is O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea?
The InChIKey is SKGWKPLXNBDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c23-19(21-17-5-3-1-2-4-6-17)20-15-16-7-9-18(10-8-16)22-11-13-24-14-12-22/h7-10,17H,1-6,11-15H2,(H2,20,21,23).
What are the key properties of 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea?
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea has a molecular weight of 347.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 71894125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).