1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

C14H19N3O2S — CID 61058402

IUPAC1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O2S/c1-11-13(17-6-3-2-4-14(17)16-11)9-15-8-12-5-7-20(18,19)10-12/h2-4,6,12,15H,5,7-10H2,1H3
InChIKeyDXDPBNVEOUEZLX-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.17
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (PubChem CID 61058402) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
PubChem CID61058402
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O2S/c1-11-13(17-6-3-2-4-14(17)16-11)9-15-8-12-5-7-20(18,19)10-12/h2-4,6,12,15H,5,7-10H2,1H3
InChIKeyDXDPBNVEOUEZLX-UHFFFAOYSA-N
XLogP1.17
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 47158148
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 94176973
N-[(1-methylcyclohexyl)methyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 103753056
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
1-(1,1-dioxothiolan-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78920808
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropan-1-amine
CID 62398309
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 54914546
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 54904820
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (CID 61058402) is 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is Cc1nc2ccccn2c1CNCC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The InChIKey is DXDPBNVEOUEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-13(17-6-3-2-4-14(17)16-11)9-15-8-12-5-7-20(18,19)10-12/h2-4,6,12,15H,5,7-10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is sourced from PubChem (CID 61058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).