N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine

C11H22N2O3S — CID 54965461

IUPACN-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCC(CN1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-10(8-13-3-5-16-6-4-13)12-11-2-7-17(14,15)9-11/h10-12H,2-9H2,1H3
InChIKeyYJOWJNYHOMECDK-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.52
Rot. Bonds4

About N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine

N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine (PubChem CID 54965461) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine
PubChem CID54965461
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine
SMILESCC(CN1CCOCC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-10(8-13-3-5-16-6-4-13)12-11-2-7-17(14,15)9-11/h10-12H,2-9H2,1H3
InChIKeyYJOWJNYHOMECDK-UHFFFAOYSA-N
XLogP-0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine (CID 54965461) is N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine is CC(CN1CCOCC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is YJOWJNYHOMECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-10(8-13-3-5-16-6-4-13)12-11-2-7-17(14,15)9-11/h10-12H,2-9H2,1H3.
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine?
N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 54965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).