N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide

C13H24N2OS — CID 83137303

IUPACN-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
SMILESCN(C(=O)CC1CCSCC1)C1CCNCC1
InChIInChI=1S/C13H24N2OS/c1-15(12-2-6-14-7-3-12)13(16)10-11-4-8-17-9-5-11/h11-12,14H,2-10H2,1H3
InChIKeyOOJDJPTYNWRNRB-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.73
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide

N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide (PubChem CID 83137303) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
PubChem CID83137303
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide
SMILESCN(C(=O)CC1CCSCC1)C1CCNCC1
InChIInChI=1S/C13H24N2OS/c1-15(12-2-6-14-7-3-12)13(16)10-11-4-8-17-9-5-11/h11-12,14H,2-10H2,1H3
InChIKeyOOJDJPTYNWRNRB-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)-N-piperidin-4-ylacetamide
CID 119444294
2-amino-N-methyl-N-(thian-4-yl)acetamide
CID 121203600
2-(cyclopropylmethoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444460
N-methyl-2-(oxolan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119551379
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
N-methyl-N-(2-methylbutan-2-yl)-2-piperidin-4-ylacetamide
CID 63965948
N-methyl-N-(morpholin-2-ylmethyl)-2-(thian-4-yl)acetamide
CID 83136380

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide (CID 83137303) is N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide is CN(C(=O)CC1CCSCC1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide?
The InChIKey is OOJDJPTYNWRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-15(12-2-6-14-7-3-12)13(16)10-11-4-8-17-9-5-11/h11-12,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide?
N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(thian-4-yl)acetamide is sourced from PubChem (CID 83137303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).