N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C10H18N2S — CID 131155835

IUPACN-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCCNC(=S)N1CCC(C)=C(C)C1
InChIInChI=1S/C10H18N2S/c1-4-11-10(13)12-6-5-8(2)9(3)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyJUJZVOYSZLWFGK-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.92
Rot. Bonds1

About N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide

N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 131155835) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID131155835
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCCNC(=S)N1CCC(C)=C(C)C1
InChIInChI=1S/C10H18N2S/c1-4-11-10(13)12-6-5-8(2)9(3)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyJUJZVOYSZLWFGK-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.92
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

1-(3-Methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea
CID 58801026
3-(3-Methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)thiourea
CID 58801028
N-(1-aminoethyl)-4-(aminomethyl)-N-methyl-1,2,3,6-tetrahydropyridine-5-carbothioamide
CID 89087713
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
1-Ethyl-3-[(2-methylcyclohexen-1-yl)methyl]thiourea
CID 142165439
1-Ethyl-3-[(2-ethylcyclohexen-1-yl)methyl]thiourea
CID 142165446
5-Ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
CID 163986956
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
N,3,5-trimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 130668461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 131155835) is N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is CCNC(=S)N1CCC(C)=C(C)C1.
What is the InChIKey of N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is JUJZVOYSZLWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-11-10(13)12-6-5-8(2)9(3)7-12/h4-7H2,1-3H3,(H,11,13).
What are the key properties of N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 198.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 131155835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).