6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

C10H14N2OS — CID 3852813

IUPAC6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC1CCc2cc(C(=O)NN)sc2C1
InChIInChI=1S/C10H14N2OS/c1-6-2-3-7-5-9(10(13)12-11)14-8(7)4-6/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyXVDAMHAXHYXHHW-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.48
Rot. Bonds1

About 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (PubChem CID 3852813) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
PubChem CID3852813
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESCC1CCc2cc(C(=O)NN)sc2C1
InChIInChI=1S/C10H14N2OS/c1-6-2-3-7-5-9(10(13)12-11)14-8(7)4-6/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyXVDAMHAXHYXHHW-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]-3-phenylurea
CID 27516597
(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hydrazine
CID 55281552
N-(2-amino-2-methylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119626559
(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2118131
5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43236699
N-(3-aminobutyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119495611
N-[1-(aminomethyl)cyclopentyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119565437
4-methyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 43091773
2-[1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79844441
N-(4-hydroxybutyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 106843000
5-methyl-N-(pentan-3-ylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556263
(2S)-3-methyl-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]pentanoic acid
CID 61173100

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CID 3852813) is 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is CC1CCc2cc(C(=O)NN)sc2C1.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is XVDAMHAXHYXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-2-3-7-5-9(10(13)12-11)14-8(7)4-6/h5-6H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 210.30 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 3852813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).