2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one

C9H18N2O3S2 — CID 43210676

IUPAC2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2O3S2/c1-16(13,14)7-2-8(10)9(12)11-3-5-15-6-4-11/h8H,2-7,10H2,1H3
InChIKeyWNRNIKNMFUMDMM-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.68
Rot. Bonds4

About 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one

2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 43210676) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID43210676
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC Name2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCS(=O)(=O)CCC(N)C(=O)N1CCSCC1
InChIInChI=1S/C9H18N2O3S2/c1-16(13,14)7-2-8(10)9(12)11-3-5-15-6-4-11/h8H,2-7,10H2,1H3
InChIKeyWNRNIKNMFUMDMM-UHFFFAOYSA-N
XLogP-0.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 24709913
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
2-amino-1-(4-butan-2-ylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62777769
2-amino-1-(4-cyclopentylpiperazin-1-yl)-4-methylsulfonylbutan-1-one
CID 62369792
2-amino-4-methylsulfonyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536852
2-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylsulfonylbutan-1-one
CID 107218220
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
4-(2-amino-4-methylsulfonylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888795
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106
N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride
CID 22732128

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one (CID 43210676) is 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one is CS(=O)(=O)CCC(N)C(=O)N1CCSCC1.
What is the InChIKey of 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is WNRNIKNMFUMDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-16(13,14)7-2-8(10)9(12)11-3-5-15-6-4-11/h8H,2-7,10H2,1H3.
What are the key properties of 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one?
2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 266.39 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 43210676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).