6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine

C15H25N3O2S — CID 62282621

IUPAC6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
SMILESCN(c1cccc(CNC(C)(C)C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)16-10-12-6-5-7-14(17-12)18(4)13-8-9-21(19,20)11-13/h5-7,13,16H,8-11H2,1-4H3
InChIKeyHROOYZGXCSQFKV-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.59
Rot. Bonds4

About 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine

6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine (PubChem CID 62282621) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
PubChem CID62282621
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
SMILESCN(c1cccc(CNC(C)(C)C)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)16-10-12-6-5-7-14(17-12)18(4)13-8-9-21(19,20)11-13/h5-7,13,16H,8-11H2,1-4H3
InChIKeyHROOYZGXCSQFKV-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100
6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789903
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62284182
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
6-N-(4-tert-butylphenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-4,6-diamine
CID 112862100
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889987

Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine (CID 62282621) is 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine is CN(c1cccc(CNC(C)(C)C)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The InChIKey is HROOYZGXCSQFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)16-10-12-6-5-7-14(17-12)18(4)13-8-9-21(19,20)11-13/h5-7,13,16H,8-11H2,1-4H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62282621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).