2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

C13H25N3O4S2 — CID 120792418

IUPAC2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
SMILESNC(C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCOCC1
InChIInChI=1S/C13H25N3O4S2/c14-12(11-1-6-20-7-2-11)13(17)15-3-10-22(18,19)16-4-8-21-9-5-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyGYYWCWDQFWYWES-UHFFFAOYSA-N
MW351.49 g/mol
LogP-0.76
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide (PubChem CID 120792418) has the molecular formula C13H25N3O4S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
PubChem CID120792418
Molecular FormulaC13H25N3O4S2
Molecular Weight351.49 g/mol
Exact Mass351.13
IUPAC Name2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide
SMILESNC(C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCOCC1
InChIInChI=1S/C13H25N3O4S2/c14-12(11-1-6-20-7-2-11)13(17)15-3-10-22(18,19)16-4-8-21-9-5-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyGYYWCWDQFWYWES-UHFFFAOYSA-N
XLogP-0.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 119319777
2-methyl-1-(oxan-4-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155543
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
propan-2-yl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]propanoate
CID 120784836
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
2-amino-N-[2-(3-methylmorpholin-4-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120799910
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
1-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)cyclopentane-1-carboxamide
CID 119319776
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120793542
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide (CID 120792418) is 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide is NC(C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
The InChIKey is GYYWCWDQFWYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S2/c14-12(11-1-6-20-7-2-11)13(17)15-3-10-22(18,19)16-4-8-21-9-5-16/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide?
2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of -0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide is sourced from PubChem (CID 120792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).