1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C14H22N2O2S2 — CID 71869947

IUPAC1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCSC1(CNC(=O)NCc2sccc2C)CCOCC1
InChIInChI=1S/C14H22N2O2S2/c1-11-3-8-20-12(11)9-15-13(17)16-10-14(19-2)4-6-18-7-5-14/h3,8H,4-7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyNHZUXLMOYLMSFA-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.77
Rot. Bonds5

About 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 71869947) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID71869947
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCSC1(CNC(=O)NCc2sccc2C)CCOCC1
InChIInChI=1S/C14H22N2O2S2/c1-11-3-8-20-12(11)9-15-13(17)16-10-14(19-2)4-6-18-7-5-14/h3,8H,4-7,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyNHZUXLMOYLMSFA-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)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-ethyl-3-[(4-methylsulfanyloxan-4-yl)methyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111690138
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 71868510
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498
1-[(3-methylphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33420120
1-[(3-methylthiophen-2-yl)methyl]-3-(2-phenylethyl)urea
CID 33421608
3-cyano-N-[(3-methylthiophen-2-yl)methyl]oxetane-3-carboxamide
CID 115184750
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 71869947) is 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is CSC1(CNC(=O)NCc2sccc2C)CCOCC1.
What is the InChIKey of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is NHZUXLMOYLMSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-11-3-8-20-12(11)9-15-13(17)16-10-14(19-2)4-6-18-7-5-14/h3,8H,4-7,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 314.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 71869947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).