3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide

C9H16N2OS — CID 130634830

IUPAC3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCSCC1C
InChIInChI=1S/C9H16N2OS/c1-3-4-10-9(12)11-5-6-13-7-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyAKFBAOHUVPKPQG-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.32
Rot. Bonds2

About 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide

3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide (PubChem CID 130634830) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide
PubChem CID130634830
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCSCC1C
InChIInChI=1S/C9H16N2OS/c1-3-4-10-9(12)11-5-6-13-7-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyAKFBAOHUVPKPQG-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide (CID 130634830) is 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide is C=CCNC(=O)N1CCSCC1C.
What is the InChIKey of 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide?
The InChIKey is AKFBAOHUVPKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-4-10-9(12)11-5-6-13-7-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12).
What are the key properties of 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide?
3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylthiomorpholine-4-carboxamide is sourced from PubChem (CID 130634830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).