1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea

C14H19N5O4S — CID 72916049

IUPAC1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
SMILESCS(=O)(=O)N1CCOC(CNC(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C14H19N5O4S/c1-24(21,22)19-4-5-23-12(9-19)8-15-14(20)17-11-2-3-13-10(6-11)7-16-18-13/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,18)(H2,15,17,20)
InChIKeyZLVDDPFILOEXHF-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.34
Rot. Bonds4

About 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea

1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea (PubChem CID 72916049) has the molecular formula C14H19N5O4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
PubChem CID72916049
Molecular FormulaC14H19N5O4S
Molecular Weight353.40 g/mol
Exact Mass353.12
IUPAC Name1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
SMILESCS(=O)(=O)N1CCOC(CNC(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C14H19N5O4S/c1-24(21,22)19-4-5-23-12(9-19)8-15-14(20)17-11-2-3-13-10(6-11)7-16-18-13/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,18)(H2,15,17,20)
InChIKeyZLVDDPFILOEXHF-UHFFFAOYSA-N
XLogP0.34
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea with MolForge

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Related Compounds

N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
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
1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
1-(1H-indazol-5-yl)-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72869943
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
1-(1H-indazol-5-yl)-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 166217844
N-(1H-indazol-5-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119683898

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea (CID 72916049) is 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea is CS(=O)(=O)N1CCOC(CNC(=O)Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
The InChIKey is ZLVDDPFILOEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S/c1-24(21,22)19-4-5-23-12(9-19)8-15-14(20)17-11-2-3-13-10(6-11)7-16-18-13/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,16,18)(H2,15,17,20).
What are the key properties of 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea?
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea has a molecular weight of 353.40 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea is sourced from PubChem (CID 72916049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).