N-methyl-N-propylthiomorpholine-4-carboxamide

C9H18N2OS — CID 160524630

IUPACN-methyl-N-propylthiomorpholine-4-carboxamide
SMILESCCCN(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-3-4-10(2)9(12)11-5-7-13-8-6-11/h3-8H2,1-2H3
InChIKeyQUSPQPRAEFDVNZ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.50
Rot. Bonds2

About N-methyl-N-propylthiomorpholine-4-carboxamide

N-methyl-N-propylthiomorpholine-4-carboxamide (PubChem CID 160524630) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-methyl-N-propylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propylthiomorpholine-4-carboxamide
PubChem CID160524630
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-methyl-N-propylthiomorpholine-4-carboxamide
SMILESCCCN(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-3-4-10(2)9(12)11-5-7-13-8-6-11/h3-8H2,1-2H3
InChIKeyQUSPQPRAEFDVNZ-UHFFFAOYSA-N
XLogP1.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylthiomorpholine-4-carboxamide?
The IUPAC name of N-methyl-N-propylthiomorpholine-4-carboxamide (CID 160524630) is N-methyl-N-propylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-propylthiomorpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-propylthiomorpholine-4-carboxamide is CCCN(C)C(=O)N1CCSCC1.
What is the InChIKey of N-methyl-N-propylthiomorpholine-4-carboxamide?
The InChIKey is QUSPQPRAEFDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-4-10(2)9(12)11-5-7-13-8-6-11/h3-8H2,1-2H3.
What are the key properties of N-methyl-N-propylthiomorpholine-4-carboxamide?
N-methyl-N-propylthiomorpholine-4-carboxamide has a molecular weight of 202.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylthiomorpholine-4-carboxamide is sourced from PubChem (CID 160524630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).