1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine

C12H24N2S — CID 115615447

IUPAC1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCSCC1
InChIInChI=1S/C12H24N2S/c1-10-9-14(2)6-3-12(10)13-11-4-7-15-8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyDYBJELZNVMGADH-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds2

About 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine

1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 115615447) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID115615447
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
SMILESCC1CN(C)CCC1NC1CCSCC1
InChIInChI=1S/C12H24N2S/c1-10-9-14(2)6-3-12(10)13-11-4-7-15-8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyDYBJELZNVMGADH-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylcyclohexyl)-1,3-dimethylpiperidin-4-amine
CID 115710210
1,3-dimethyl-N-(2-methylcyclobutyl)piperidin-4-amine
CID 130171575
N-(1,3-dimethylpiperidin-4-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114503286
N-(3-ethylcyclopentyl)-1,3-dimethylpiperidin-4-amine
CID 115717575
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
CID 103778408
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-dimethylpiperidin-4-amine
CID 115717633
N-(3-ethoxycyclobutyl)-1,3-dimethylpiperidin-4-amine
CID 115905678
N-(1,3-dimethylpiperidin-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 113261212
1-methyl-N-(2-methylcyclopentyl)pyrrolidin-3-amine
CID 63278241
(3S)-1-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolidin-3-amine
CID 124708701
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891311
N-(2-ethyloxan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 114503263

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine (CID 115615447) is 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine is CC1CN(C)CCC1NC1CCSCC1.
What is the InChIKey of 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is DYBJELZNVMGADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-9-14(2)6-3-12(10)13-11-4-7-15-8-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine?
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 115615447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).