2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide

C11H20N2O3S — CID 24701292

IUPAC2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-4-7-13(8-5-2)11(14)10(12)6-9-17(3,15)16/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyGMSMQMWRCYDYBT-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.05
Rot. Bonds8

About 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide

2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide (PubChem CID 24701292) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide
PubChem CID24701292
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C11H20N2O3S/c1-4-7-13(8-5-2)11(14)10(12)6-9-17(3,15)16/h4-5,10H,1-2,6-9,12H2,3H3
InChIKeyGMSMQMWRCYDYBT-UHFFFAOYSA-N
XLogP-0.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide (CID 24701292) is 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is GMSMQMWRCYDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-4-7-13(8-5-2)11(14)10(12)6-9-17(3,15)16/h4-5,10H,1-2,6-9,12H2,3H3.
What are the key properties of 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide?
2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 260.36 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 24701292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).