N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine

C14H24N2OS — CID 123794773

IUPACN-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCNCC1C=CC(S(=O)C2CCN(C)CC2)=CC1
InChIInChI=1S/C14H24N2OS/c1-15-11-12-3-5-13(6-4-12)18(17)14-7-9-16(2)10-8-14/h3,5-6,12,14-15H,4,7-11H2,1-2H3
InChIKeyIKJXQLKTVVBRBO-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine

N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 123794773) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID123794773
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCNCC1C=CC(S(=O)C2CCN(C)CC2)=CC1
InChIInChI=1S/C14H24N2OS/c1-15-11-12-3-5-13(6-4-12)18(17)14-7-9-16(2)10-8-14/h3,5-6,12,14-15H,4,7-11H2,1-2H3
InChIKeyIKJXQLKTVVBRBO-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)methylsulfonyl]piperidine
CID 164089809
3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
1-[4-(1-ethylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 123881774
N-[[4-(2-methylpropylsulfonyl)cyclohexa-2,4-dien-1-yl]methyl]ethanamine
CID 126636715
8-methyl-3,4,8,8a-tetrahydro-2H-1lambda4,4-benzothiazine 1-oxide
CID 129043531
4-(4-Tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
CID 143453002
4-(4-Methylcyclohexa-1,5-dien-1-yl)sulfinyl-1-(2-methylpropyl)piperidine
CID 145628996
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine;ethane
CID 166104304
3-(Cyclohexa-1,5-dien-1-ylsulfanylmethyl)piperidine
CID 166104305

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine (CID 123794773) is N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine is CNCC1C=CC(S(=O)C2CCN(C)CC2)=CC1.
What is the InChIKey of N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is IKJXQLKTVVBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-15-11-12-3-5-13(6-4-12)18(17)14-7-9-16(2)10-8-14/h3,5-6,12,14-15H,4,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine?
N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1-methylpiperidin-4-yl)sulfinylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 123794773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).