N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine

C12H18N2O2S — CID 43817865

IUPACN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1cccc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(13-10)8-14(2)12-6-7-17(15,16)9-12/h3-5,12H,6-9H2,1-2H3
InChIKeyQIVKDIXFKBHCLY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.01
Rot. Bonds3

About N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 43817865) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID43817865
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1cccc(CN(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C12H18N2O2S/c1-10-4-3-5-11(13-10)8-14(2)12-6-7-17(15,16)9-12/h3-5,12H,6-9H2,1-2H3
InChIKeyQIVKDIXFKBHCLY-UHFFFAOYSA-N
XLogP1.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[2-(6-methyl-2-pyridinyl)ethyl]propanamide
CID 90650948
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107113173
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47145538
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 80656296
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 99976316
(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 99937969

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine (CID 43817865) is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine is Cc1cccc(CN(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is QIVKDIXFKBHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-4-3-5-11(13-10)8-14(2)12-6-7-17(15,16)9-12/h3-5,12H,6-9H2,1-2H3.
What are the key properties of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 254.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43817865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).