(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide

C12H13N3O3S — CID 97079601

IUPAC(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O3S/c16-12(8-3-4-19(17,18)7-8)14-10-1-2-11-9(5-10)6-13-15-11/h1-2,5-6,8H,3-4,7H2,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKeyGZRDZHUZVZNPTC-MRVPVSSYSA-N
MW279.32 g/mol
LogP0.94
Rot. Bonds2

About (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide

(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 97079601) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
PubChem CID97079601
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H13N3O3S/c16-12(8-3-4-19(17,18)7-8)14-10-1-2-11-9(5-10)6-13-15-11/h1-2,5-6,8H,3-4,7H2,(H,13,15)(H,14,16)/t8-/m1/s1
InChIKeyGZRDZHUZVZNPTC-MRVPVSSYSA-N
XLogP0.94
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
1,1-dioxo-N-(1H-pyrazol-4-yl)thiolane-3-carboxamide
CID 43429642
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
N-(2-chloro-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 126816709
1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117072886
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide (CID 97079601) is (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is GZRDZHUZVZNPTC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-12(8-3-4-19(17,18)7-8)14-10-1-2-11-9(5-10)6-13-15-11/h1-2,5-6,8H,3-4,7H2,(H,13,15)(H,14,16)/t8-/m1/s1.
What are the key properties of (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide?
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 97079601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).