N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine

C11H22N2S2 — CID 115727317

IUPACN-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CSCCS2)CC1
InChIInChI=1S/C11H22N2S2/c1-13-4-2-10(3-5-13)12-8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3
InChIKeyRORSSJKNEUPQBC-UHFFFAOYSA-N
MW246.44 g/mol
LogP1.52
Rot. Bonds3

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

N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine (PubChem CID 115727317) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
PubChem CID115727317
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(NCC2CSCCS2)CC1
InChIInChI=1S/C11H22N2S2/c1-13-4-2-10(3-5-13)12-8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3
InChIKeyRORSSJKNEUPQBC-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115727339
N-(1,4-dithian-2-ylmethyl)oxepan-4-amine
CID 115886462
tert-butyl 3-(1,4-dithian-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 115735719
tert-butyl 3-(1,4-dithian-2-ylmethylamino)piperidine-1-carboxylate
CID 115972538
N-(1,4-dithian-2-ylmethyl)cyclohex-2-en-1-amine
CID 107908102
1-(1,4-dithian-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 113489426
N-(1,4-dithian-2-ylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 115868552
N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
CID 177148476
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
1-cyclopropyl-N-(1,4-dithian-2-ylmethyl)-2-methylpropan-1-amine
CID 115727439
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine (CID 115727317) is N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine is CN1CCC(NCC2CSCCS2)CC1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine?
The InChIKey is RORSSJKNEUPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-13-4-2-10(3-5-13)12-8-11-9-14-6-7-15-11/h10-12H,2-9H2,1H3.
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine?
N-(1,4-dithian-2-ylmethyl)-1-methylpiperidin-4-amine has a molecular weight of 246.44 g/mol, XLogP of 1.52, 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-methylpiperidin-4-amine is sourced from PubChem (CID 115727317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).