N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide

C11H13N3OS — CID 60735515

IUPACN-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C11H13N3OS/c1-16-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14-11/h2-5H,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyFPEYFTYFWWPBEP-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.25
Rot. Bonds4

About N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide

N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide (PubChem CID 60735515) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
PubChem CID60735515
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C11H13N3OS/c1-16-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14-11/h2-5H,6-7H2,1H3,(H2,12,13,14,15)
InChIKeyFPEYFTYFWWPBEP-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide
CID 60735680
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-3-yl)acetamide
CID 60735352
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
N-(1H-indazol-3-yl)-3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 167992530

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide (CID 60735515) is N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide?
The InChIKey is FPEYFTYFWWPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-16-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14-11/h2-5H,6-7H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide?
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide has a molecular weight of 235.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 60735515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).