N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide

C15H29N3OS — CID 79946528

IUPACN-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
SMILESCC1(C)CSCC(N2CCCC(C(=O)NCCN)C2)C1
InChIInChI=1S/C15H29N3OS/c1-15(2)8-13(10-20-11-15)18-7-3-4-12(9-18)14(19)17-6-5-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyRSFLJXLSRYOSEW-UHFFFAOYSA-N
MW299.48 g/mol
LogP1.30
Rot. Bonds4

About N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide (PubChem CID 79946528) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
PubChem CID79946528
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
SMILESCC1(C)CSCC(N2CCCC(C(=O)NCCN)C2)C1
InChIInChI=1S/C15H29N3OS/c1-15(2)8-13(10-20-11-15)18-7-3-4-12(9-18)14(19)17-6-5-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyRSFLJXLSRYOSEW-UHFFFAOYSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63252234
N-(2-aminoethyl)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
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N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
N-(2-aminoethyl)-1-(3-cyclopropylcyclohexyl)piperidine-3-carboxamide
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CID 119385384
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
CID 107180717
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
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N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide (CID 79946528) is N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide is CC1(C)CSCC(N2CCCC(C(=O)NCCN)C2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide?
The InChIKey is RSFLJXLSRYOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-15(2)8-13(10-20-11-15)18-7-3-4-12(9-18)14(19)17-6-5-16/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide has a molecular weight of 299.48 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 79946528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).