4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine

C11H16ClN3O2S — CID 107055209

IUPAC4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
SMILESCN(c1nccc(CN)c1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16ClN3O2S/c1-15(9-3-5-18(16,17)7-9)11-10(12)8(6-13)2-4-14-11/h2,4,9H,3,5-7,13H2,1H3
InChIKeyOOSPNEQVOWOFFB-UHFFFAOYSA-N
MW289.79 g/mol
LogP0.82
Rot. Bonds3

About 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine (PubChem CID 107055209) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
PubChem CID107055209
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine
SMILESCN(c1nccc(CN)c1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16ClN3O2S/c1-15(9-3-5-18(16,17)7-9)11-10(12)8(6-13)2-4-14-11/h2,4,9H,3,5-7,13H2,1H3
InChIKeyOOSPNEQVOWOFFB-UHFFFAOYSA-N
XLogP0.82
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-3-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridin-2-amine
CID 107055363
2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyridine-2,3-diamine
CID 43648521
5-chloro-4-[(1,1-dioxothiolan-3-yl)-methylamino]-1H-pyrimidin-6-one
CID 136970863
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-4-amine
CID 62341880
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
N-[2-(2-aminoethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63783247
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107113173
2-[[4-(aminomethyl)-3-chloro-2-pyridinyl]-cyclopropylamino]ethanol
CID 107055331
3-(chloromethyl)-N-(1,1-dioxothiolan-3-yl)-N-methylquinolin-2-amine
CID 43648934
4-(aminomethyl)-3-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 107055559

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine (CID 107055209) is 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine is CN(c1nccc(CN)c1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
The InChIKey is OOSPNEQVOWOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-15(9-3-5-18(16,17)7-9)11-10(12)8(6-13)2-4-14-11/h2,4,9H,3,5-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine has a molecular weight of 289.79 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 107055209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).