4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid

C10H20N2O4S — CID 103252141

IUPAC4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid
SMILESCC(=CCNCC(C)(C)NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(9(13)14)5-6-11-7-10(2,3)12-17(4,15)16/h5,11-12H,6-7H2,1-4H3,(H,13,14)
InChIKeyDIDHYFSXOCMKOU-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.07
Rot. Bonds7

About 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid

4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid (PubChem CID 103252141) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid
PubChem CID103252141
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid
SMILESCC(=CCNCC(C)(C)NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(9(13)14)5-6-11-7-10(2,3)12-17(4,15)16/h5,11-12H,6-7H2,1-4H3,(H,13,14)
InChIKeyDIDHYFSXOCMKOU-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.07
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'}

Analyze 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid 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

(Z)-4-[2-(methanesulfonamido)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55167726
4-[2-(Methanesulfonamido)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76210662
4-[[2-(Methanesulfonamido)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77008756
4-[[2-(Methanesulfonamido)-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 77008757
4-[2-(Methanesulfonamido)ethylamino]-2-methylbut-2-enoic acid
CID 103238992
(E)-4-[2-(methanesulfonamido)ethylamino]but-2-enoic acid
CID 103239004
4-[2-(Methanesulfonamido)ethylamino]-3-methylbut-2-enoic acid
CID 103239006
2-Ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoic acid
CID 103239012
2-[[2-(Methanesulfonamido)ethylamino]methyl]prop-2-enoic acid
CID 103239019
(E)-4-[3-[ethyl(methylsulfonyl)amino]propylamino]but-2-enoic acid
CID 103241533
4-[3-[Ethyl(methylsulfonyl)amino]propylamino]-3-methylbut-2-enoic acid
CID 103241537
(Z)-2-ethyl-4-[3-[ethyl(methylsulfonyl)amino]propylamino]but-2-enoic acid
CID 103241555

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid?
The IUPAC name of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid (CID 103252141) is 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid?
The canonical SMILES for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid is CC(=CCNCC(C)(C)NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid?
The InChIKey is DIDHYFSXOCMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(9(13)14)5-6-11-7-10(2,3)12-17(4,15)16/h5,11-12H,6-7H2,1-4H3,(H,13,14).
What are the key properties of 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid?
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103252141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).