N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride

C9H20ClN3OS — CID 18988040

IUPACN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride
SMILESCNCCN(C)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C9H19N3OS.ClH/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;/h10H,3-8H2,1-2H3;1H
InChIKeyIWNBHDULQFUZML-UHFFFAOYSA-N
MW253.80 g/mol
LogP0.73
Rot. Bonds3

About N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride

N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride (PubChem CID 18988040) has the molecular formula C9H20ClN3OS and a molecular weight of 253.80 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride
PubChem CID18988040
Molecular FormulaC9H20ClN3OS
Molecular Weight253.80 g/mol
Exact Mass253.10
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride
SMILESCNCCN(C)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C9H19N3OS.ClH/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;/h10H,3-8H2,1-2H3;1H
InChIKeyIWNBHDULQFUZML-UHFFFAOYSA-N
XLogP0.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride (CID 18988040) is N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride is CNCCN(C)C(=O)N1CCSCC1.Cl.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride?
The InChIKey is IWNBHDULQFUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS.ClH/c1-10-3-4-11(2)9(13)12-5-7-14-8-6-12;/h10H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride?
N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]thiomorpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 18988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).