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

C11H16N2O2S — CID 62996716

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(CNC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H16N2O2S/c1-9-2-3-10(6-12-9)7-13-11-4-5-16(14,15)8-11/h2-3,6,11,13H,4-5,7-8H2,1H3
InChIKeyYFOJNNAWEYMRPL-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.67
Rot. Bonds3

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

N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 62996716) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID62996716
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
SMILESCc1ccc(CNC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H16N2O2S/c1-9-2-3-10(6-12-9)7-13-11-4-5-16(14,15)8-11/h2-3,6,11,13H,4-5,7-8H2,1H3
InChIKeyYFOJNNAWEYMRPL-UHFFFAOYSA-N
XLogP0.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
(3R)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 2449451
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111835124
4-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]benzoic acid
CID 7121620
methyl 4-[[(1,1-dioxothiolan-3-yl)amino]methyl]benzoate
CID 43177605
N-[(3,4-dimethylphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924284
N-[(6-methyl-3-pyridinyl)methyl]azepan-4-amine
CID 103982082
N-[(4-fluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 63910450
4-tert-butyl-N-[(6-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 65089500
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
N-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxothiolan-3-amine
CID 43087894
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 54927047

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine (CID 62996716) is N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine is Cc1ccc(CNC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is YFOJNNAWEYMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-2-3-10(6-12-9)7-13-11-4-5-16(14,15)8-11/h2-3,6,11,13H,4-5,7-8H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine?
N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 240.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62996716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).