1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea

C15H19N3O3S — CID 129367988

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c19-15(18-12-6-8-22(20,21)10-12)16-7-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9,12,17H,5-8,10H2,(H2,16,18,19)/t12-/m1/s1
InChIKeyRIANMEOZWOBTPI-GFCCVEGCSA-N
MW321.40 g/mol
LogP1.20
Rot. Bonds4

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 129367988) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID129367988
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19N3O3S/c19-15(18-12-6-8-22(20,21)10-12)16-7-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9,12,17H,5-8,10H2,(H2,16,18,19)/t12-/m1/s1
InChIKeyRIANMEOZWOBTPI-GFCCVEGCSA-N
XLogP1.20
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 110996018
N-(1,1-dioxothiolan-3-yl)-3-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 110996020
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 40609388
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 94017520
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-(1,1-dioxothiolan-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-carboxamide
CID 110383643
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6601813
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 129367988) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is RIANMEOZWOBTPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-15(18-12-6-8-22(20,21)10-12)16-7-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9,12,17H,5-8,10H2,(H2,16,18,19)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 321.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 129367988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).