methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate

C10H20N2O4S — CID 106340200

IUPACmethyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNCCCNS(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(10(13)16-2)5-8-11-6-4-7-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3
InChIKeyANMJCCCWKNEZKZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.37
Rot. Bonds8

About methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate

methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate (PubChem CID 106340200) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
PubChem CID106340200
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNCCCNS(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-9(10(13)16-2)5-8-11-6-4-7-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3
InChIKeyANMJCCCWKNEZKZ-UHFFFAOYSA-N
XLogP-0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(methanesulfonamido)ethylamino]-2-methylbut-2-enoic acid
CID 103238992
methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
CID 103266852
methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
CID 103266527
methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
CID 103249206
methyl 4-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylbut-2-enoate
CID 103240517
propan-2-yl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336503
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
methyl 2-methyl-4-(2-prop-2-ynylsulfanylethylamino)but-2-enoate
CID 106429936
N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
CID 106332723
methyl 2-ethyl-4-(3-methylsulfinylpropylamino)but-2-enoate
CID 103264976
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate?
The IUPAC name of methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate (CID 106340200) is methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate is COC(=O)C(C)=CCNCCCNS(C)(=O)=O.
What is the InChIKey of methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate?
The InChIKey is ANMJCCCWKNEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-9(10(13)16-2)5-8-11-6-4-7-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3.
What are the key properties of methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate?
methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate has a molecular weight of 264.35 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate is sourced from PubChem (CID 106340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).