(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine

C7H15NO3S — CID 66073203

IUPAC(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine
SMILESCCOC1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-2-11-7(5-8)3-4-12(9,10)6-7/h2-6,8H2,1H3
InChIKeyQCVBLXMWEWUGQS-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.46
Rot. Bonds3

About (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine

(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine (PubChem CID 66073203) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine
PubChem CID66073203
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine
SMILESCCOC1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-2-11-7(5-8)3-4-12(9,10)6-7/h2-6,8H2,1H3
InChIKeyQCVBLXMWEWUGQS-UHFFFAOYSA-N
XLogP-0.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Aminomethyl)-2-methyl-1,4lambda6-oxathiane-4,4-dione hydrochloride
CID 155821715
2-(Aminomethyl)-2-methyl-1,4lambda6-oxathiane-4,4-dione
CID 155821716
N-((3-methoxytetrahydrothiophen-3-yl)methyl)methanesulfonamide
CID 71804881
3-(2-Aminoethoxy)-1lambda6-thiolane-1,1-dione
CID 62343436
2-Ethyl-2-(3-methylsulfonylpropoxy)butan-1-amine
CID 65050856
2-Ethyl-2-(2-ethylsulfonylethoxy)butan-1-amine
CID 65051132
2-(1,1-Dioxothiolan-3-yl)oxy-2-ethylbutan-1-amine
CID 65051233
2-Methyl-2-(2-methylsulfonylethoxy)propan-1-amine
CID 65053005
2-(1,1-Dioxothiolan-3-yl)oxy-2-methylpropan-1-amine
CID 65053006
2-Methyl-2-(3-methylsulfonylpropoxy)butan-1-amine
CID 65053231
2-(2-Ethylsulfonylethoxy)-2-methylbutan-1-amine
CID 65053237
2-Methyl-2-(3-methylsulfonylpropoxy)propan-1-amine
CID 65053387

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine (CID 66073203) is (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine is CCOC1(CN)CCS(=O)(=O)C1.
What is the InChIKey of (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is QCVBLXMWEWUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-2-11-7(5-8)3-4-12(9,10)6-7/h2-6,8H2,1H3.
What are the key properties of (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine?
(3-ethoxy-1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 193.27 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 66073203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).