6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine

C20H26FN3O3S — CID 133359819

IUPAC6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C20H26FN3O3S/c1-20(2,3)28(25,26)19-7-5-16(14-23-19)22-13-15-4-6-18(17(21)12-15)24-8-10-27-11-9-24/h4-7,12,14,22H,8-11,13H2,1-3H3
InChIKeyFHJGMOUPVOMYSZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.24
Rot. Bonds5

About 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine (PubChem CID 133359819) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine
PubChem CID133359819
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC Name6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C20H26FN3O3S/c1-20(2,3)28(25,26)19-7-5-16(14-23-19)22-13-15-4-6-18(17(21)12-15)24-8-10-27-11-9-24/h4-7,12,14,22H,8-11,13H2,1-3H3
InChIKeyFHJGMOUPVOMYSZ-UHFFFAOYSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine (CID 133359819) is 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cn1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine?
The InChIKey is FHJGMOUPVOMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-20(2,3)28(25,26)19-7-5-16(14-23-19)22-13-15-4-6-18(17(21)12-15)24-8-10-27-11-9-24/h4-7,12,14,22H,8-11,13H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine has a molecular weight of 407.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 133359819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).