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

C10H18N2S — CID 130748557

IUPAC4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCC1=CCN(C(=S)NC(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-8(2)11-10(13)12-6-4-9(3)5-7-12/h4,8H,5-7H2,1-3H3,(H,11,13)
InChIKeySHNUTPFUNKPCHZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.92
Rot. Bonds1

About 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide

4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 130748557) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID130748557
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESCC1=CCN(C(=S)NC(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-8(2)11-10(13)12-6-4-9(3)5-7-12/h4,8H,5-7H2,1-3H3,(H,11,13)
InChIKeySHNUTPFUNKPCHZ-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

2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034503
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
CID 3038099
N-allyl-4-t-butyl-1,2,3,6--tetrahydro-1-pyridinethiocarboxamide
CID 21519702
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-(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-[2,2,2-trideuterio-1-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]ethanethioamide
CID 87740893
4,6-Dimethyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882205
1,3-Diethyl-4,6-dimethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882220
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 130748557) is 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide is CC1=CCN(C(=S)NC(C)C)CC1.
What is the InChIKey of 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is SHNUTPFUNKPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)11-10(13)12-6-4-9(3)5-7-12/h4,8H,5-7H2,1-3H3,(H,11,13).
What are the key properties of 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide?
4-methyl-N-propan-2-yl-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 4-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 130748557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).