6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine

C17H22N2O2S — CID 133373480

IUPAC6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c1
InChIInChI=1S/C17H22N2O2S/c1-13-6-5-7-14(10-13)11-18-15-8-9-16(19-12-15)22(20,21)17(2,3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyYATZRKIPWVRRAR-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.57
Rot. Bonds4

About 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine (PubChem CID 133373480) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
PubChem CID133373480
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c1
InChIInChI=1S/C17H22N2O2S/c1-13-6-5-7-14(10-13)11-18-15-8-9-16(19-12-15)22(20,21)17(2,3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyYATZRKIPWVRRAR-UHFFFAOYSA-N
XLogP3.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133378988
6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
CID 75379530
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine (CID 133373480) is 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine is Cc1cccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is YATZRKIPWVRRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13-6-5-7-14(10-13)11-18-15-8-9-16(19-12-15)22(20,21)17(2,3)4/h5-10,12,18H,11H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 318.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 133373480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).