2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide

C12H24N2S — CID 62199637

IUPAC2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
SMILESCCCC1CCN(CC(C)C(N)=S)CC1
InChIInChI=1S/C12H24N2S/c1-3-4-11-5-7-14(8-6-11)9-10(2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyWJBRVZSSLGJZSV-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.42
Rot. Bonds5

About 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide

2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide (PubChem CID 62199637) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide.

Molecular Properties

Compound Name2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
PubChem CID62199637
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
SMILESCCCC1CCN(CC(C)C(N)=S)CC1
InChIInChI=1S/C12H24N2S/c1-3-4-11-5-7-14(8-6-11)9-10(2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyWJBRVZSSLGJZSV-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.42
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

1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-(4-propylpiperidin-1-yl)propane-2-sulfinic acid
CID 174657454
2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide
CID 43585286
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
CID 114678688
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide?
The IUPAC name of 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide (CID 62199637) is 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide.
What is the SMILES notation for 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide?
The canonical SMILES for 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide is CCCC1CCN(CC(C)C(N)=S)CC1.
What is the InChIKey of 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide?
The InChIKey is WJBRVZSSLGJZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-4-11-5-7-14(8-6-11)9-10(2)12(13)15/h10-11H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide?
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide has a molecular weight of 228.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide is sourced from PubChem (CID 62199637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).