6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine

C18H24N2O4S — CID 133359877

IUPAC6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c(OC)c1
InChIInChI=1S/C18H24N2O4S/c1-18(2,3)25(21,22)17-9-7-14(12-20-17)19-11-13-6-8-15(23-4)10-16(13)24-5/h6-10,12,19H,11H2,1-5H3
InChIKeyREOSKLTYARZBEI-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.28
Rot. Bonds6

About 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine

6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 133359877) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID133359877
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c(OC)c1
InChIInChI=1S/C18H24N2O4S/c1-18(2,3)25(21,22)17-9-7-14(12-20-17)19-11-13-6-8-15(23-4)10-16(13)24-5/h6-10,12,19H,11H2,1-5H3
InChIKeyREOSKLTYARZBEI-UHFFFAOYSA-N
XLogP3.28
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-N-[(2,4-dimethoxyphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 39456816
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-4-methylaniline
CID 43716144
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 110179316
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine (CID 133359877) is 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c(OC)c1.
What is the InChIKey of 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is REOSKLTYARZBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-18(2,3)25(21,22)17-9-7-14(12-20-17)19-11-13-6-8-15(23-4)10-16(13)24-5/h6-10,12,19H,11H2,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine?
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 364.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 133359877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).