N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide

C16H30N2OS — CID 106626623

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
SMILESCC(C)N(CC1CCCCN1)C(=O)CC1CCSCC1
InChIInChI=1S/C16H30N2OS/c1-13(2)18(12-15-5-3-4-8-17-15)16(19)11-14-6-9-20-10-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyKDASBLAISVGPTB-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.90
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide

N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide (PubChem CID 106626623) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
PubChem CID106626623
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide
SMILESCC(C)N(CC1CCCCN1)C(=O)CC1CCSCC1
InChIInChI=1S/C16H30N2OS/c1-13(2)18(12-15-5-3-4-8-17-15)16(19)11-14-6-9-20-10-7-14/h13-15,17H,3-12H2,1-2H3
InChIKeyKDASBLAISVGPTB-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
2-methoxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626574
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197
2-cyclopent-2-en-1-yl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609792
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide (CID 106626623) is N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide is CC(C)N(CC1CCCCN1)C(=O)CC1CCSCC1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide?
The InChIKey is KDASBLAISVGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-13(2)18(12-15-5-3-4-8-17-15)16(19)11-14-6-9-20-10-7-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide?
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide has a molecular weight of 298.50 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-(thian-4-yl)acetamide is sourced from PubChem (CID 106626623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).