2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide

C12H22N2S — CID 65498283

IUPAC2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1CCCCN1CC1(CC(N)=S)CC1
InChIInChI=1S/C12H22N2S/c1-10-4-2-3-7-14(10)9-12(5-6-12)8-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeyJXWYSFCGUWERRI-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide

2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide (PubChem CID 65498283) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
PubChem CID65498283
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
SMILESCC1CCCCN1CC1(CC(N)=S)CC1
InChIInChI=1S/C12H22N2S/c1-10-4-2-3-7-14(10)9-12(5-6-12)8-11(13)15/h10H,2-9H2,1H3,(H2,13,15)
InChIKeyJXWYSFCGUWERRI-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-methylazepan-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65496824
[1-[(2-methylpiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 82171577
1-[(2-methylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457487
2-[1-[(2-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanol
CID 114757403
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65498094
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
2-[1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 114593382
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62390573
2-[1-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]cyclopropyl]ethanethioamide
CID 81096894
2-[1-[(4-tert-butylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498092
2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65497226
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide (CID 65498283) is 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide is CC1CCCCN1CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide?
The InChIKey is JXWYSFCGUWERRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10-4-2-3-7-14(10)9-12(5-6-12)8-11(13)15/h10H,2-9H2,1H3,(H2,13,15).
What are the key properties of 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide?
2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide has a molecular weight of 226.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpiperidin-1-yl)methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).