2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide

C12H22N2OS — CID 19176069

IUPAC2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide
SMILESCC1CCN(C(=S)NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2OS/c1-9-5-7-14(8-6-9)11(16)13-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,16)
InChIKeyDPMLWJQCQVOJRG-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.17
Rot. Bonds

About 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide

2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide (PubChem CID 19176069) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide
PubChem CID19176069
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide
SMILESCC1CCN(C(=S)NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H22N2OS/c1-9-5-7-14(8-6-9)11(16)13-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,16)
InChIKeyDPMLWJQCQVOJRG-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-methylpiperidine-1-carbothioyl)carbamate
CID 91827763
2-methyl-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 62835421
(E)-3-(5-methylfuran-2-yl)-N-(4-methylpiperidine-1-carbothioyl)prop-2-enamide
CID 922634
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
N,2-dimethyl-2-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 162793147
2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 108504586
1-(4-methylpiperidin-1-yl)prop-2-yn-1-one
CID 126997659
2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide
CID 920715

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide (CID 19176069) is 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide is CC1CCN(C(=S)NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide?
The InChIKey is DPMLWJQCQVOJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-5-7-14(8-6-9)11(16)13-10(15)12(2,3)4/h9H,5-8H2,1-4H3,(H,13,15,16).
What are the key properties of 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide?
2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide has a molecular weight of 242.39 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylpiperidine-1-carbothioyl)propanamide is sourced from PubChem (CID 19176069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).