6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine

C16H21N3O2S — CID 71920326

IUPAC6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1cccnc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C16H21N3O2S/c1-12-6-5-9-17-14(12)11-18-13-7-8-15(19-10-13)22(20,21)16(2,3)4/h5-10,18H,11H2,1-4H3
InChIKeyIFBHNDNOXIUKRK-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.97
Rot. Bonds4

About 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine (PubChem CID 71920326) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
PubChem CID71920326
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1cccnc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1
InChIInChI=1S/C16H21N3O2S/c1-12-6-5-9-17-14(12)11-18-13-7-8-15(19-10-13)22(20,21)16(2,3)4/h5-10,18H,11H2,1-4H3
InChIKeyIFBHNDNOXIUKRK-UHFFFAOYSA-N
XLogP2.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
6-tert-butylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]pyridin-3-amine
CID 133374020
6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
CID 75379530
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
CID 112649993
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine (CID 71920326) is 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine is Cc1cccnc1CNc1ccc(S(=O)(=O)C(C)(C)C)nc1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is IFBHNDNOXIUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-6-5-9-17-14(12)11-18-13-7-8-15(19-10-13)22(20,21)16(2,3)4/h5-10,18H,11H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 319.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 71920326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).