N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine

C14H22N2O4S2 — CID 51074560

IUPACN-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O4S2/c1-16-8-6-11(7-9-16)15-13-5-4-12(21(2,17)18)10-14(13)22(3,19)20/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyOXCATQFTESLBRE-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.00
Rot. Bonds4

About N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine

N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 51074560) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID51074560
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1
InChIInChI=1S/C14H22N2O4S2/c1-16-8-6-11(7-9-16)15-13-5-4-12(21(2,17)18)10-14(13)22(3,19)20/h4-5,10-11,15H,6-9H2,1-3H3
InChIKeyOXCATQFTESLBRE-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
4-[(1-methylpiperidin-4-yl)amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 67170062
(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one
CID 52864052
N-(dicyclopentylmethyl)-2,4-bis(methylsulfonyl)aniline
CID 133306325
N-[2,4-bis(methylsulfonyl)phenyl]-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 133431004
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
CID 24607590
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
CID 62655982
5-(cyclopropylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923119
1-N-(4-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448004
1-N-[2,4-bis(methylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
CID 78954539
4-methylsulfonyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43609787
3,4-dimethyl-5-[(1-methylazepan-4-yl)amino]benzenesulfonamide
CID 65070560

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine (CID 51074560) is N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1.
What is the InChIKey of N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is OXCATQFTESLBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-16-8-6-11(7-9-16)15-13-5-4-12(21(2,17)18)10-14(13)22(3,19)20/h4-5,10-11,15H,6-9H2,1-3H3.
What are the key properties of N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine?
N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 346.47 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(methylsulfonyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 51074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).