2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

C14H24N2O4S — CID 102738395

IUPAC2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CCN(C(=O)CSCC(=O)N2CCOCC2)C1CO
InChIInChI=1S/C14H24N2O4S/c1-11-2-3-16(12(11)8-17)14(19)10-21-9-13(18)15-4-6-20-7-5-15/h11-12,17H,2-10H2,1H3
InChIKeyUDMSENWNORVEFD-UHFFFAOYSA-N
MW316.42 g/mol
LogP-0.19
Rot. Bonds5

About 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone

2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 102738395) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID102738395
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone
SMILESCC1CCN(C(=O)CSCC(=O)N2CCOCC2)C1CO
InChIInChI=1S/C14H24N2O4S/c1-11-2-3-16(12(11)8-17)14(19)10-21-9-13(18)15-4-6-20-7-5-15/h11-12,17H,2-10H2,1H3
InChIKeyUDMSENWNORVEFD-UHFFFAOYSA-N
XLogP-0.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone (CID 102738395) is 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is CC1CCN(C(=O)CSCC(=O)N2CCOCC2)C1CO.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is UDMSENWNORVEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11-2-3-16(12(11)8-17)14(19)10-21-9-13(18)15-4-6-20-7-5-15/h11-12,17H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone?
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 316.42 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 102738395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).