N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C8H14N2S — CID 131129978

IUPACN,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=C(C)CC1
InChIInChI=1S/C8H14N2S/c1-7-3-5-10(6-4-7)8(11)9-2/h3H,4-6H2,1-2H3,(H,9,11)
InChIKeyXYQJRMQOFWZGMB-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.14
Rot. Bonds

About N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 131129978) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID131129978
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCNC(=S)N1CC=C(C)CC1
InChIInChI=1S/C8H14N2S/c1-7-3-5-10(6-4-7)8(11)9-2/h3H,4-6H2,1-2H3,(H,9,11)
InChIKeyXYQJRMQOFWZGMB-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
N-ethyl-4-t-butyl-1,2,3,6-tetrahydro-1-pyridinethiocarboxamide
CID 21519704
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]ethanethioamide
CID 23574960
N-[[1-(trideuteriomethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]ethanethioamide
CID 58633930
1-Methyl-3-(2-methylidenepent-3-enyl)thiourea
CID 123490363
[(1,1,4-trimethyl-3,6-dihydro-2H-pyridin-1-ium-2-yl)amino]methanethiol
CID 163882722
5-Ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
CID 163986956
N-methyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 13034316
N-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 127012113
5-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130618934
N,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130618965
4-methyl-N-propyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130661022

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 131129978) is N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CNC(=S)N1CC=C(C)CC1.
What is the InChIKey of N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is XYQJRMQOFWZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7-3-5-10(6-4-7)8(11)9-2/h3H,4-6H2,1-2H3,(H,9,11).
What are the key properties of N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N,4-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,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 131129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).