N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine

C9H18N2O2S — CID 66187291

IUPACN-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
SMILESCN(C1CCS(=O)(=O)CC1)C1CNC1
InChIInChI=1S/C9H18N2O2S/c1-11(9-6-10-7-9)8-2-4-14(12,13)5-3-8/h8-10H,2-7H2,1H3
InChIKeyOQMCYJOHWMTYKG-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.53
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine

N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine (PubChem CID 66187291) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
PubChem CID66187291
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
SMILESCN(C1CCS(=O)(=O)CC1)C1CNC1
InChIInChI=1S/C9H18N2O2S/c1-11(9-6-10-7-9)8-2-4-14(12,13)5-3-8/h8-10H,2-7H2,1H3
InChIKeyOQMCYJOHWMTYKG-UHFFFAOYSA-N
XLogP-0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
N-(1,1-dioxothiolan-3-yl)-N,4-dimethylpyrrolidin-3-amine
CID 81459205
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
N-(4-ethylcyclohexyl)-N-methylazetidin-3-amine
CID 62786503
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
N-methyl-N-(oxolan-3-yl)azetidin-3-amine
CID 66187761
N-(azetidin-3-yl)-N,1-dimethylpiperidin-3-amine
CID 62785558
N-(3,4-dimethylcyclohexyl)-N-methylazetidin-3-amine
CID 66186114
1,2,3,3a,4,6,7,7a-octahydrothiopyrano[3,4-c]pyrrole 5,5-dioxide
CID 105436279
N-methyl-N-(4-propylcycloheptyl)azetidin-3-amine
CID 66185892

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine (CID 66187291) is N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine is CN(C1CCS(=O)(=O)CC1)C1CNC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine?
The InChIKey is OQMCYJOHWMTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-11(9-6-10-7-9)8-2-4-14(12,13)5-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine?
N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 66187291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).