[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine

C15H30N2S — CID 79958923

IUPAC[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
SMILESCC1(C)CCCN(C2(CN)CSCC(C)(C)C2)C1
InChIInChI=1S/C15H30N2S/c1-13(2)6-5-7-17(10-13)15(9-16)8-14(3,4)11-18-12-15/h5-12,16H2,1-4H3
InChIKeyVGHLBFFHWGYLNM-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds2

About [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine

[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine (PubChem CID 79958923) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
PubChem CID79958923
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine
SMILESCC1(C)CCCN(C2(CN)CSCC(C)(C)C2)C1
InChIInChI=1S/C15H30N2S/c1-13(2)6-5-7-17(10-13)15(9-16)8-14(3,4)11-18-12-15/h5-12,16H2,1-4H3
InChIKeyVGHLBFFHWGYLNM-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[5,5-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)thian-3-yl]methanamine
CID 79958749
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[5,5-dimethyl-3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79958271
[5,5-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)thian-3-yl]methanamine
CID 79957955
[5,5-dimethyl-3-(2,2,6-trimethylmorpholin-4-yl)thian-3-yl]methanamine
CID 79958109
[1-(3,3-dimethylpiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 65084940
[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
CID 107391476
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]-8-ylmethanamine
CID 118121133

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine?
The IUPAC name of [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine (CID 79958923) is [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine.
What is the SMILES notation for [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine?
The canonical SMILES for [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine is CC1(C)CCCN(C2(CN)CSCC(C)(C)C2)C1.
What is the InChIKey of [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine?
The InChIKey is VGHLBFFHWGYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-13(2)6-5-7-17(10-13)15(9-16)8-14(3,4)11-18-12-15/h5-12,16H2,1-4H3.
What are the key properties of [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine?
[3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylpiperidin-1-yl)-5,5-dimethylthian-3-yl]methanamine is sourced from PubChem (CID 79958923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).