1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine

C10H21NO3S — CID 62318735

IUPAC1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-11-10(7-14-2)6-9-4-5-15(12,13)8-9/h9-11H,3-8H2,1-2H3
InChIKeySPLCMSXPUHLTGU-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine

1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 62318735) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID62318735
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-3-11-10(7-14-2)6-9-4-5-15(12,13)8-9/h9-11H,3-8H2,1-2H3
InChIKeySPLCMSXPUHLTGU-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine (CID 62318735) is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is SPLCMSXPUHLTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-11-10(7-14-2)6-9-4-5-15(12,13)8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine?
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 62318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).