1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione

C18H19ClN2O2S — CID 9171860

IUPAC1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione
SMILESCC(C)c1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)12-4-6-15-14(8-12)17(22)18(23)21(15)10-20(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3
InChIKeyKWPKWFMKVNGGGM-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.14
Rot. Bonds5

About 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione

1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione (PubChem CID 9171860) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione
PubChem CID9171860
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione
SMILESCC(C)c1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C18H19ClN2O2S/c1-11(2)12-4-6-15-14(8-12)17(22)18(23)21(15)10-20(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3
InChIKeyKWPKWFMKVNGGGM-UHFFFAOYSA-N
XLogP4.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione?
The IUPAC name of 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione (CID 9171860) is 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione.
What is the SMILES notation for 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione?
The canonical SMILES for 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione is CC(C)c1ccc2c(c1)C(=O)C(=O)N2CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione?
The InChIKey is KWPKWFMKVNGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-11(2)12-4-6-15-14(8-12)17(22)18(23)21(15)10-20(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione?
1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione has a molecular weight of 362.88 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-propan-2-ylindole-2,3-dione is sourced from PubChem (CID 9171860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).