2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one

C9H18N2OS — CID 115734514

IUPAC2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C9H18N2OS/c1-6(10)9(12)11-4-5-13-8(3)7(11)2/h6-8H,4-5,10H2,1-3H3
InChIKeyUZZNKSVZKPPPLR-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.69
Rot. Bonds1

About 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one

2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one (PubChem CID 115734514) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
PubChem CID115734514
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one
SMILESCC(N)C(=O)N1CCSC(C)C1C
InChIInChI=1S/C9H18N2OS/c1-6(10)9(12)11-4-5-13-8(3)7(11)2/h6-8H,4-5,10H2,1-3H3
InChIKeyUZZNKSVZKPPPLR-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 61148706
2,5-Dimethyl-5,6-dihydro-2H-1,4-thiazin-3-ol
CID 95534
3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
CID 95532
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
2-Amino-1-(thiomorpholin-4-yl)propan-1-one hydrochloride
CID 50988106
S-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyl] ethanethioate
CID 21156299
S-[2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]ethyl] ethanethioate
CID 44332781
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
N-(3-methylbutan-2-yl)-2-thiomorpholin-4-ylacetamide
CID 53516133

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one (CID 115734514) is 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one is CC(N)C(=O)N1CCSC(C)C1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one?
The InChIKey is UZZNKSVZKPPPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(10)9(12)11-4-5-13-8(3)7(11)2/h6-8H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one?
2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 115734514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).