N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C15H25N3O2S — CID 62281754

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)8-16-9-13-4-5-15(17-10-13)18(3)14-6-7-21(19,20)11-14/h4-5,10,12,14,16H,6-9,11H2,1-3H3
InChIKeyDIGQNBQCUWLLOY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.45
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62281754) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62281754
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)8-16-9-13-4-5-15(17-10-13)18(3)14-6-7-21(19,20)11-14/h4-5,10,12,14,16H,6-9,11H2,1-3H3
InChIKeyDIGQNBQCUWLLOY-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62284182
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62282275
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]propanamide
CID 113013662
N-[(4-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109156987
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 64522855
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 62281181
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-[3-(dimethylamino)propyl]-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109154402

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62281754) is N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CC(C)CNCc1ccc(N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is DIGQNBQCUWLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)8-16-9-13-4-5-15(17-10-13)18(3)14-6-7-21(19,20)11-14/h4-5,10,12,14,16H,6-9,11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62281754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).