N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C8H14N2S — CID 130618965

IUPACN,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C8H14N2S/c1-7-4-3-5-10(6-7)8(11)9-2/h4H,3,5-6H2,1-2H3,(H,9,11)
InChIKeyOWYNJTRGSJANLH-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.14
Rot. Bonds

About N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 130618965) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID130618965
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CCC=C(C)C1
InChIInChI=1S/C8H14N2S/c1-7-4-3-5-10(6-7)8(11)9-2/h4H,3,5-6H2,1-2H3,(H,9,11)
InChIKeyOWYNJTRGSJANLH-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.14
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

N-methyl-4-t-butyl-1,2,3,6-tetrahydro-1-pyridinethiocarboxamide
CID 10198239
1-Methyl-3-(2-methylidenepent-3-enyl)thiourea
CID 123490363
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 13034316
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
4-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130661022
N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130668461
1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-3-methylthiourea
CID 130677604
4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130748557
5-methyl-N-prop-2-ynyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131019272

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 130618965) is N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CNC(=S)N1CCC=C(C)C1.
What is the InChIKey of N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is OWYNJTRGSJANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7-4-3-5-10(6-7)8(11)9-2/h4H,3,5-6H2,1-2H3,(H,9,11).
What are the key properties of N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 170.28 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 130618965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).