N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine

C14H22N2O4S2 — CID 120715329

IUPACN-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H22N2O4S2/c1-11-6-7-13(21(3,17)18)9-14(11)22(19,20)16-8-4-5-12(10-16)15-2/h6-7,9,12,15H,4-5,8,10H2,1-3H3
InChIKeyNHYNFMWEGOGMRL-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.77
Rot. Bonds4

About N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine

N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine (PubChem CID 120715329) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
PubChem CID120715329
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H22N2O4S2/c1-11-6-7-13(21(3,17)18)9-14(11)22(19,20)16-8-4-5-12(10-16)15-2/h6-7,9,12,15H,4-5,8,10H2,1-3H3
InChIKeyNHYNFMWEGOGMRL-UHFFFAOYSA-N
XLogP0.77
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714788
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714488
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
methyl 3,4-dimethyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120715277
(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-methylpiperidin-3-amine
CID 124517202
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine (CID 120715329) is N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)C1.
What is the InChIKey of N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is NHYNFMWEGOGMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-11-6-7-13(21(3,17)18)9-14(11)22(19,20)16-8-4-5-12(10-16)15-2/h6-7,9,12,15H,4-5,8,10H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine?
N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 346.47 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 120715329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).