1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

C13H17N3O3S — CID 110303929

IUPAC1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)NC3CC3)ccc21
InChIInChI=1S/C13H17N3O3S/c1-20(18,19)16-7-6-9-8-11(4-5-12(9)16)15-13(17)14-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,15,17)
InChIKeyUFJJBKUALZJTJQ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.29
Rot. Bonds3

About 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (PubChem CID 110303929) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
PubChem CID110303929
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)NC3CC3)ccc21
InChIInChI=1S/C13H17N3O3S/c1-20(18,19)16-7-6-9-8-11(4-5-12(9)16)15-13(17)14-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,15,17)
InChIKeyUFJJBKUALZJTJQ-UHFFFAOYSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389806
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
[2-(cyclopropylamino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 8783492
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (CID 110303929) is 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is CS(=O)(=O)N1CCc2cc(NC(=O)NC3CC3)ccc21.
What is the InChIKey of 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The InChIKey is UFJJBKUALZJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-20(18,19)16-7-6-9-8-11(4-5-12(9)16)15-13(17)14-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea has a molecular weight of 295.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 110303929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).