(2S)-2-(methanesulfonamido)propanoate

C4H8NO4S- — CID 7446977

IUPAC(2S)-2-(methanesulfonamido)propanoate
SMILESC[C@H](NS(C)(=O)=O)C(=O)[O-]
InChIInChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/p-1/t3-/m0/s1
InChIKeyIVSHKPMKSXBARS-VKHMYHEASA-M
MW166.18 g/mol
LogP-2.33
Rot. Bonds3

About (2S)-2-(methanesulfonamido)propanoate

(2S)-2-(methanesulfonamido)propanoate (PubChem CID 7446977) has the molecular formula C4H8NO4S- and a molecular weight of 166.18 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)propanoate.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)propanoate
PubChem CID7446977
Molecular FormulaC4H8NO4S-
Molecular Weight166.18 g/mol
Exact Mass166.02
IUPAC Name(2S)-2-(methanesulfonamido)propanoate
SMILESC[C@H](NS(C)(=O)=O)C(=O)[O-]
InChIInChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/p-1/t3-/m0/s1
InChIKeyIVSHKPMKSXBARS-VKHMYHEASA-M
XLogP-2.33
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
2-[2-(methanesulfonamido)propanoylamino]propanoic acid
CID 119348984
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 6922915
sodium 2-(hydroxyamino)propanoate
CID 23713376
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
dilithium bis(2-methylpropanoate)
CID 86626069
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
(2S)-2-acetamidopropanoate
CID 6926438
silver (2R)-2-hydroxypropanoate
CID 14178856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)propanoate?
The IUPAC name of (2S)-2-(methanesulfonamido)propanoate (CID 7446977) is (2S)-2-(methanesulfonamido)propanoate.
What is the SMILES notation for (2S)-2-(methanesulfonamido)propanoate?
The canonical SMILES for (2S)-2-(methanesulfonamido)propanoate is C[C@H](NS(C)(=O)=O)C(=O)[O-].
What is the InChIKey of (2S)-2-(methanesulfonamido)propanoate?
The InChIKey is IVSHKPMKSXBARS-VKHMYHEASA-M. The full InChI is InChI=1S/C4H9NO4S/c1-3(4(6)7)5-10(2,8)9/h3,5H,1-2H3,(H,6,7)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)propanoate?
(2S)-2-(methanesulfonamido)propanoate has a molecular weight of 166.18 g/mol, XLogP of -2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)propanoate is sourced from PubChem (CID 7446977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).