[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine

C8H17NO3S — CID 115025405

IUPAC[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine
SMILESCOCC1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-7-8(6-9)2-4-13(10,11)5-3-8/h2-7,9H2,1H3
InChIKeyGUHKCGGYDYKFMU-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.21
Rot. Bonds3

About [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine

[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine (PubChem CID 115025405) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine
PubChem CID115025405
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine
SMILESCOCC1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-12-7-8(6-9)2-4-13(10,11)5-3-8/h2-7,9H2,1H3
InChIKeyGUHKCGGYDYKFMU-UHFFFAOYSA-N
XLogP-0.21
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(2-methoxyethoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78963284
4-(aminomethyl)-4-(methoxymethyl)cyclohexan-1-ol
CID 126979077
[3-(methoxymethyl)thietan-3-yl]methanamine
CID 83905009
4-(ethenoxymethyl)-4-ethylthiane 1,1-dioxide
CID 176604823
[3-(methoxymethyl)oxolan-3-yl]methanamine
CID 83904977
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine
CID 54983347
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
3-(methoxymethyl)-1,1-dioxothiolane-3-carbonitrile
CID 130514371
N-[[4-(aminomethyl)-1,1-dioxothian-4-yl]methyl]-2-phenylacetamide
CID 70033577
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 115338635
[3-[(4-chlorophenyl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 78992044

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine (CID 115025405) is [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine is COCC1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine?
The InChIKey is GUHKCGGYDYKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-12-7-8(6-9)2-4-13(10,11)5-3-8/h2-7,9H2,1H3.
What are the key properties of [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine?
[4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine has a molecular weight of 207.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1,1-dioxothian-4-yl]methanamine is sourced from PubChem (CID 115025405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).