N-methyl-2-thiomorpholin-3-ylpropanamide

C8H16N2OS — CID 23090486

IUPACN-methyl-2-thiomorpholin-3-ylpropanamide
SMILESCNC(=O)C(C)C1CSCCN1
InChIInChI=1S/C8H16N2OS/c1-6(8(11)9-2)7-5-12-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyDMLFNNDIDNOECJ-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.07
Rot. Bonds2

About N-methyl-2-thiomorpholin-3-ylpropanamide

N-methyl-2-thiomorpholin-3-ylpropanamide (PubChem CID 23090486) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-3-ylpropanamide
PubChem CID23090486
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-methyl-2-thiomorpholin-3-ylpropanamide
SMILESCNC(=O)C(C)C1CSCCN1
InChIInChI=1S/C8H16N2OS/c1-6(8(11)9-2)7-5-12-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,9,11)
InChIKeyDMLFNNDIDNOECJ-UHFFFAOYSA-N
XLogP0.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propanamide
CID 99980828
N,4-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]pentanamide
CID 66420236
N,2-dimethyl-3-[methyl-(2-thiomorpholin-3-ylacetyl)amino]propanamide;hydrochloride
CID 119940447
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-methyl-N-[2-(methylamino)-2-oxoethyl]thiomorpholine-3-carboxamide
CID 82905478
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
6-methyl-1-thiomorpholin-3-ylheptan-2-one
CID 116586587
thiomorpholine-3-carbohydrazide
CID 14045872

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-3-ylpropanamide?
The IUPAC name of N-methyl-2-thiomorpholin-3-ylpropanamide (CID 23090486) is N-methyl-2-thiomorpholin-3-ylpropanamide.
What is the SMILES notation for N-methyl-2-thiomorpholin-3-ylpropanamide?
The canonical SMILES for N-methyl-2-thiomorpholin-3-ylpropanamide is CNC(=O)C(C)C1CSCCN1.
What is the InChIKey of N-methyl-2-thiomorpholin-3-ylpropanamide?
The InChIKey is DMLFNNDIDNOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-6(8(11)9-2)7-5-12-4-3-10-7/h6-7,10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-methyl-2-thiomorpholin-3-ylpropanamide?
N-methyl-2-thiomorpholin-3-ylpropanamide has a molecular weight of 188.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-3-ylpropanamide is sourced from PubChem (CID 23090486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).