N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide

C15H19N3O3S — CID 75767369

IUPACN-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide
SMILESCc1ccc2cnn(CCC(=O)NC3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C15H19N3O3S/c1-11-2-3-12-9-16-18(14(12)8-11)6-4-15(19)17-13-5-7-22(20,21)10-13/h2-3,8-9,13H,4-7,10H2,1H3,(H,17,19)
InChIKeyWPOKJHOLHAOJPT-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.04
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide

N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide (PubChem CID 75767369) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide
PubChem CID75767369
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide
SMILESCc1ccc2cnn(CCC(=O)NC3CCS(=O)(=O)C3)c2c1
InChIInChI=1S/C15H19N3O3S/c1-11-2-3-12-9-16-18(14(12)8-11)6-4-15(19)17-13-5-7-22(20,21)10-13/h2-3,8-9,13H,4-7,10H2,1H3,(H,17,19)
InChIKeyWPOKJHOLHAOJPT-UHFFFAOYSA-N
XLogP1.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methylindazol-1-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731502
5-(2,5-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]pentanamide
CID 94808949
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957844
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 95207800

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide (CID 75767369) is N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide is Cc1ccc2cnn(CCC(=O)NC3CCS(=O)(=O)C3)c2c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide?
The InChIKey is WPOKJHOLHAOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-2-3-12-9-16-18(14(12)8-11)6-4-15(19)17-13-5-7-22(20,21)10-13/h2-3,8-9,13H,4-7,10H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide?
N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide has a molecular weight of 321.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(6-methylindazol-1-yl)propanamide is sourced from PubChem (CID 75767369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).