[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine

C13H26N2S — CID 62331186

IUPAC[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCSCC2)C(C)C1
InChIInChI=1S/C13H26N2S/c1-11-3-6-15(12(2)9-11)13(10-14)4-7-16-8-5-13/h11-12H,3-10,14H2,1-2H3
InChIKeyWYDSVEPVRYIWOO-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds2

About [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine

[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine (PubChem CID 62331186) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
PubChem CID62331186
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCC1CCN(C2(CN)CCSCC2)C(C)C1
InChIInChI=1S/C13H26N2S/c1-11-3-6-15(12(2)9-11)13(10-14)4-7-16-8-5-13/h11-12H,3-10,14H2,1-2H3
InChIKeyWYDSVEPVRYIWOO-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,4-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661194
[3-(2,4-dimethylpiperidin-1-yl)thian-3-yl]methanamine
CID 62872574
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755313
[1-(2,4-dimethylpiperidin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705152
[1-(2,4-dimethylpiperidin-1-yl)-3-ethylcyclopentyl]methanamine
CID 64500735
[1-(2,4-dimethylpiperidin-1-yl)-4-ethylcycloheptyl]methanamine
CID 65088627
[4-(2,4-dimethylpiperidin-1-yl)-1-ethylazepan-4-yl]methanamine
CID 65076024
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235
[4-(2-ethyl-5-methylpyrrolidin-1-yl)thian-4-yl]methanamine
CID 83227600
[6-bromo-2-(2,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 63632731

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The IUPAC name of [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine (CID 62331186) is [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine is CC1CCN(C2(CN)CCSCC2)C(C)C1.
What is the InChIKey of [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The InChIKey is WYDSVEPVRYIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11-3-6-15(12(2)9-11)13(10-14)4-7-16-8-5-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
[4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine is sourced from PubChem (CID 62331186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).