(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid

C8H15NO5S — CID 42035723

IUPAC(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
SMILESC[C@H](CS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-7(8(10)11)6-15(12,13)9-2-4-14-5-3-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyQZUHGVKERSZDAT-SSDOTTSWSA-N
MW237.28 g/mol
LogP-0.63
Rot. Bonds4

About (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid

(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid (PubChem CID 42035723) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
PubChem CID42035723
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
SMILESC[C@H](CS(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C8H15NO5S/c1-7(8(10)11)6-15(12,13)9-2-4-14-5-3-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyQZUHGVKERSZDAT-SSDOTTSWSA-N
XLogP-0.63
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-methylpropyl)sulfonylmorpholine
CID 79579785
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
2-methyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 115876287
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516
4-(2-methylsulfonylethylsulfonyl)morpholine
CID 64591555
(2S)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783970
4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 43210286

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid?
The IUPAC name of (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid (CID 42035723) is (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid.
What is the SMILES notation for (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid?
The canonical SMILES for (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid is C[C@H](CS(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid?
The InChIKey is QZUHGVKERSZDAT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-7(8(10)11)6-15(12,13)9-2-4-14-5-3-9/h7H,2-6H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid?
(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid is sourced from PubChem (CID 42035723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).