2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide

C10H21N3O3S — CID 139973106

IUPAC2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-9(2)10(14)12-6-5-11-7-8-13(3)17(4,15)16/h11H,1,5-8H2,2-4H3,(H,12,14)
InChIKeyCIPIKTIXQKLTIY-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.84
Rot. Bonds8

About 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide

2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide (PubChem CID 139973106) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide
PubChem CID139973106
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCN(C)S(C)(=O)=O
InChIInChI=1S/C10H21N3O3S/c1-9(2)10(14)12-6-5-11-7-8-13(3)17(4,15)16/h11H,1,5-8H2,2-4H3,(H,12,14)
InChIKeyCIPIKTIXQKLTIY-UHFFFAOYSA-N
XLogP-0.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide (CID 139973106) is 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide is C=C(C)C(=O)NCCNCCN(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide?
The InChIKey is CIPIKTIXQKLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(2)10(14)12-6-5-11-7-8-13(3)17(4,15)16/h11H,1,5-8H2,2-4H3,(H,12,14).
What are the key properties of 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide has a molecular weight of 263.36 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[methyl(methylsulfonyl)amino]ethylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 139973106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).