N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine

C17H22N2O2S — CID 50980184

IUPACN-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(12-16-6-4-5-11-18-16)19(2)13-15-7-9-17(10-8-15)22(3,20)21/h4-11,14H,12-13H2,1-3H3
InChIKeyUVZVFKBASYZUEN-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine

N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine (PubChem CID 50980184) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
PubChem CID50980184
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
SMILESCC(Cc1ccccn1)N(C)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-14(12-16-6-4-5-11-18-16)19(2)13-15-7-9-17(10-8-15)22(3,20)21/h4-11,14H,12-13H2,1-3H3
InChIKeyUVZVFKBASYZUEN-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 51871878
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
N-methyl-3-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanamide
CID 50985142
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 20850239
N-[(4-methylsulfonylphenyl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
CID 46999308
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
(4-methylsulfonylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91363696
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
CID 56721630
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine (CID 50980184) is N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine is CC(Cc1ccccn1)N(C)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine?
The InChIKey is UVZVFKBASYZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-14(12-16-6-4-5-11-18-16)19(2)13-15-7-9-17(10-8-15)22(3,20)21/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine?
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine has a molecular weight of 318.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 50980184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).