2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid

C7H14N2O4S — CID 103239019

IUPAC2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14N2O4S/c1-6(7(10)11)5-8-3-4-9-14(2,12)13/h8-9H,1,3-5H2,2H3,(H,10,11)
InChIKeyCQWCBUGXOROCDC-UHFFFAOYSA-N
MW222.27 g/mol
LogP-1.23
Rot. Bonds7

About 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid

2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid (PubChem CID 103239019) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid
PubChem CID103239019
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid
SMILESC=C(CNCCNS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14N2O4S/c1-6(7(10)11)5-8-3-4-9-14(2,12)13/h8-9H,1,3-5H2,2H3,(H,10,11)
InChIKeyCQWCBUGXOROCDC-UHFFFAOYSA-N
XLogP-1.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(Methanesulfonamido)ethylamino]-2-methylbut-2-enoic acid
CID 103238992
2-[(2-Methylsulfonylethylamino)methyl]prop-2-enoic acid
CID 103240261
2-[[3-[Ethyl(methylsulfonyl)amino]propylamino]methyl]prop-2-enoic acid
CID 103241568
4-[[2-(Methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid
CID 103252141
2-[[[2-(Methanesulfonamido)-2-methylpropyl]amino]methyl]prop-2-enoic acid
CID 103252163
2-[[3-(Methanesulfonamido)propylamino]methyl]prop-2-enoic acid
CID 106340208

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid (CID 103239019) is 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid is C=C(CNCCNS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid?
The InChIKey is CQWCBUGXOROCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-6(7(10)11)5-8-3-4-9-14(2,12)13/h8-9H,1,3-5H2,2H3,(H,10,11).
What are the key properties of 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid?
2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid has a molecular weight of 222.27 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)ethylamino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103239019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).