3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide

C13H17N3OS — CID 116850079

IUPAC3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CC(N)c1csc2ccccc12
InChIInChI=1S/C13H17N3OS/c1-16(2)15-13(17)7-11(14)10-8-18-12-6-4-3-5-9(10)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17)
InChIKeyJBOYXLFUCNYVSS-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.88
Rot. Bonds4

About 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide

3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116850079) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116850079
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCN(C)NC(=O)CC(N)c1csc2ccccc12
InChIInChI=1S/C13H17N3OS/c1-16(2)15-13(17)7-11(14)10-8-18-12-6-4-3-5-9(10)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17)
InChIKeyJBOYXLFUCNYVSS-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(1-benzothiophen-3-yl)-N',N'-dimethylacetohydrazide
CID 116849870
3-amino-3-(2-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116850073
5-amino-5-(1-benzothiophen-3-yl)pentan-2-one
CID 116940781
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
ethyl 5-amino-5-(1-benzothiophen-3-yl)-3-methylpentanoate
CID 62942009
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
methyl (3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoate
CID 102175267
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide (CID 116850079) is 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is CN(C)NC(=O)CC(N)c1csc2ccccc12.
What is the InChIKey of 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is JBOYXLFUCNYVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16(2)15-13(17)7-11(14)10-8-18-12-6-4-3-5-9(10)12/h3-6,8,11H,7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide?
3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 263.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116850079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).