(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine

C6H13NO3S — CID 155821716

IUPAC(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCO1
InChIInChI=1S/C6H13NO3S/c1-6(4-7)5-11(8,9)3-2-10-6/h2-5,7H2,1H3
InChIKeyGYVQUXAMVXMBLP-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.85
Rot. Bonds1

About (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine

(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine (PubChem CID 155821716) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine
PubChem CID155821716
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine
SMILESCC1(CN)CS(=O)(=O)CCO1
InChIInChI=1S/C6H13NO3S/c1-6(4-7)5-11(8,9)3-2-10-6/h2-5,7H2,1H3
InChIKeyGYVQUXAMVXMBLP-UHFFFAOYSA-N
XLogP-0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 115338635
(2-methyl-1,4-oxathian-2-yl)methanamine
CID 155821418
(3-ethoxy-1,1-dioxothian-3-yl)methanamine
CID 66071537
(7,7-dioxo-1,4-dioxa-7λ6-thiaspiro[4.4]nonan-3-yl)methanamine
CID 82775424
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
2-[5-(3-methyl-1,1-dioxothian-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 115048259
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241
[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
CID 165475538
2-(3-fluoro-1,1-dioxothian-3-yl)propan-1-amine
CID 105463188
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,1-dioxothian-3-yl]methanamine
CID 107453906

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine?
The IUPAC name of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine (CID 155821716) is (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine?
The canonical SMILES for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine is CC1(CN)CS(=O)(=O)CCO1.
What is the InChIKey of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine?
The InChIKey is GYVQUXAMVXMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(4-7)5-11(8,9)3-2-10-6/h2-5,7H2,1H3.
What are the key properties of (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine?
(2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine has a molecular weight of 179.24 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,4-dioxo-1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 155821716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).