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

C13H26N2S — CID 62938084

IUPAC[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCC1(C)CCN(C2(CN)CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-12(2)3-7-15(8-4-12)13(11-14)5-9-16-10-6-13/h3-11,14H2,1-2H3
InChIKeyDBDSLXUWGCWZKP-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds2

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

[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine (PubChem CID 62938084) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
PubChem CID62938084
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
SMILESCC1(C)CCN(C2(CN)CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-12(2)3-7-15(8-4-12)13(11-14)5-9-16-10-6-13/h3-11,14H2,1-2H3
InChIKeyDBDSLXUWGCWZKP-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

[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
CID 63156835
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 29033800
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)thian-4-yl]methanamine
CID 115559326
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[4-(3-methoxyazetidin-1-yl)thian-4-yl]methanamine
CID 130546873

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The IUPAC name of [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine (CID 62938084) is [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The canonical SMILES for [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine is CC1(C)CCN(C2(CN)CCSCC2)CC1.
What is the InChIKey of [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
The InChIKey is DBDSLXUWGCWZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12(2)3-7-15(8-4-12)13(11-14)5-9-16-10-6-13/h3-11,14H2,1-2H3.
What are the key properties of [4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine?
[4-(4,4-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-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine is sourced from PubChem (CID 62938084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).