1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea

C11H20N6O4S — CID 125166321

IUPAC1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
SMILESCCn1cc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nn1
InChIInChI=1S/C11H20N6O4S/c1-3-16-8-10(14-15-16)13-11(18)12-6-9-7-17(4-5-21-9)22(2,19)20/h8-9H,3-7H2,1-2H3,(H2,12,13,18)/t9-/m1/s1
InChIKeyCEYVQGMXEFLNSC-SECBINFHSA-N
MW332.39 g/mol
LogP-0.92
Rot. Bonds5

About 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea

1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea (PubChem CID 125166321) has the molecular formula C11H20N6O4S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
PubChem CID125166321
Molecular FormulaC11H20N6O4S
Molecular Weight332.39 g/mol
Exact Mass332.13
IUPAC Name1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
SMILESCCn1cc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nn1
InChIInChI=1S/C11H20N6O4S/c1-3-16-8-10(14-15-16)13-11(18)12-6-9-7-17(4-5-21-9)22(2,19)20/h8-9H,3-7H2,1-2H3,(H2,12,13,18)/t9-/m1/s1
InChIKeyCEYVQGMXEFLNSC-SECBINFHSA-N
XLogP-0.92
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-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-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 118782940
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 125166052
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 79082782

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The IUPAC name of 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea (CID 125166321) is 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea is CCn1cc(NC(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The InChIKey is CEYVQGMXEFLNSC-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N6O4S/c1-3-16-8-10(14-15-16)13-11(18)12-6-9-7-17(4-5-21-9)22(2,19)20/h8-9H,3-7H2,1-2H3,(H2,12,13,18)/t9-/m1/s1.
What are the key properties of 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea has a molecular weight of 332.39 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea is sourced from PubChem (CID 125166321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).