N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine

C15H30N2S — CID 80551433

IUPACN-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CSCC(C)(C)C2)CC1
InChIInChI=1S/C15H30N2S/c1-4-16-10-13-5-7-17(8-6-13)14-9-15(2,3)12-18-11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyZKRPTECIAPEMFL-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.84
Rot. Bonds4

About N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 80551433) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID80551433
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CSCC(C)(C)C2)CC1
InChIInChI=1S/C15H30N2S/c1-4-16-10-13-5-7-17(8-6-13)14-9-15(2,3)12-18-11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyZKRPTECIAPEMFL-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
CID 79946802
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]ethanamine
CID 79946619
N-[(1-spiro[4.5]decan-8-ylpiperidin-4-yl)methyl]ethanamine
CID 114818937
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
N-(2-aminoethyl)-1-(5,5-dimethylthian-3-yl)piperidine-3-carboxamide
CID 79946528
2-[4-(5,5-dimethylthian-3-yl)piperazin-1-yl]propanoic acid
CID 79946405
N-[(3,3-dimethylcyclopentyl)methyl]ethanamine
CID 80705004
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
CID 79956232
N-[[1-(3-methylbut-2-enyl)piperidin-4-yl]methyl]ethanamine
CID 63848559
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
N-[[1-(trifluoromethyl)piperidin-4-yl]methyl]ethanamine
CID 71635401

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine (CID 80551433) is N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(C2CSCC(C)(C)C2)CC1.
What is the InChIKey of N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZKRPTECIAPEMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-16-10-13-5-7-17(8-6-13)14-9-15(2,3)12-18-11-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 270.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80551433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).