N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C7H12N2S — CID 13034316

IUPACN-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=CCC1
InChIInChI=1S/C7H12N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10)
InChIKeyGUAPXKLDTJGNAP-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.75
Rot. Bonds

About N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide

N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 13034316) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID13034316
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=CCC1
InChIInChI=1S/C7H12N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10)
InChIKeyGUAPXKLDTJGNAP-UHFFFAOYSA-N
XLogP0.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,6-dihydro-2H-pyridine-1-carbothioamide
CID 5110820
Pent-2-enylthiourea
CID 53842268
Pent-3-enylthiourea
CID 53865750
N,N-dimethyl-1,2,3,6-tetrahydropyridin-2-amine
CID 56614411
[(E)-pent-3-enyl]thiourea
CID 88291536
[(E)-pent-2-enyl]thiourea
CID 88291614
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
Hex-2-enylthiourea
CID 154101068
1-Methyl-1-pent-2-enylthiourea
CID 165175596
N-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 127012113
5-bromo-N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 127017430
5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130618934

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 13034316) is N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CNC(=S)N1CC=CCC1.
What is the InChIKey of N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is GUAPXKLDTJGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-8-7(10)9-5-3-2-4-6-9/h2-3H,4-6H2,1H3,(H,8,10).
What are the key properties of N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 156.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 13034316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).