N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine

C12H24N2S2 — CID 115727339

IUPACN-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1CSCCS1
InChIInChI=1S/C12H24N2S2/c1-10-8-14(2)4-3-12(10)13-7-11-9-15-5-6-16-11/h10-13H,3-9H2,1-2H3
InChIKeyABGUXFTYZLPNIT-UHFFFAOYSA-N
MW260.47 g/mol
LogP1.76
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine

N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115727339) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID115727339
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCC1CSCCS1
InChIInChI=1S/C12H24N2S2/c1-10-8-14(2)4-3-12(10)13-7-11-9-15-5-6-16-11/h10-13H,3-9H2,1-2H3
InChIKeyABGUXFTYZLPNIT-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
CID 115727317
1,3-dimethyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 176675930
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpiperidin-4-amine
CID 113253498
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
1,3-dimethyl-N-(thian-4-yl)piperidin-4-amine
CID 115615447
N-(1,4-dithian-2-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115868552
(2S)-1-[(1,3-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906380
N-(cyclopropylmethyl)-1,4-dimethylpyrrolidin-3-amine
CID 131041729
N-(2,2-dimethoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 114503218
N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
CID 107900391
tert-butyl 3-(1,4-dithian-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 115735719

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine (CID 115727339) is N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCC1CSCCS1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is ABGUXFTYZLPNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-10-8-14(2)4-3-12(10)13-7-11-9-15-5-6-16-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine?
N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 260.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115727339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).