2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide

C9H15N3OS — CID 55215186

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(C)Cc1ccsc1
InChIInChI=1S/C9H15N3OS/c1-7(9(13)11-10)12(2)5-8-3-4-14-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)
InChIKeyKSLUADIEFLEOCF-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.56
Rot. Bonds4

About 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide

2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide (PubChem CID 55215186) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
PubChem CID55215186
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(C)Cc1ccsc1
InChIInChI=1S/C9H15N3OS/c1-7(9(13)11-10)12(2)5-8-3-4-14-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13)
InChIKeyKSLUADIEFLEOCF-UHFFFAOYSA-N
XLogP0.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide (CID 55215186) is 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide is CC(C(=O)NN)N(C)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide?
The InChIKey is KSLUADIEFLEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(9(13)11-10)12(2)5-8-3-4-14-6-8/h3-4,6-7H,5,10H2,1-2H3,(H,11,13).
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide?
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide has a molecular weight of 213.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide is sourced from PubChem (CID 55215186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).