(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

C10H18N2OS — CID 63715588

IUPAC(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESCC1CNCC1C(=O)N1CCSCC1
InChIInChI=1S/C10H18N2OS/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12/h8-9,11H,2-7H2,1H3
InChIKeyOVCRFVWUSCKOTL-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.42
Rot. Bonds1

About (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone

(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 63715588) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID63715588
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
SMILESCC1CNCC1C(=O)N1CCSCC1
InChIInChI=1S/C10H18N2OS/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12/h8-9,11H,2-7H2,1H3
InChIKeyOVCRFVWUSCKOTL-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone (CID 63715588) is (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is CC1CNCC1C(=O)N1CCSCC1.
What is the InChIKey of (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is OVCRFVWUSCKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-6-11-7-9(8)10(13)12-2-4-14-5-3-12/h8-9,11H,2-7H2,1H3.
What are the key properties of (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone?
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 214.33 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 63715588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).