2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride

C12H28ClN3O3S — CID 119728954

IUPAC2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCN(C)S(=O)(=O)CC.Cl
InChIInChI=1S/C12H27N3O3S.ClH/c1-5-8-12(3,13)11(16)14-9-7-10-15(4)19(17,18)6-2;/h5-10,13H2,1-4H3,(H,14,16);1H
InChIKeyFLXWNZKRWYLALD-UHFFFAOYSA-N
MW329.89 g/mol
LogP0.71
Rot. Bonds9

About 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride

2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride (PubChem CID 119728954) has the molecular formula C12H28ClN3O3S and a molecular weight of 329.89 g/mol. Its IUPAC name is 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
PubChem CID119728954
Molecular FormulaC12H28ClN3O3S
Molecular Weight329.89 g/mol
Exact Mass329.15
IUPAC Name2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCN(C)S(=O)(=O)CC.Cl
InChIInChI=1S/C12H27N3O3S.ClH/c1-5-8-12(3,13)11(16)14-9-7-10-15(4)19(17,18)6-2;/h5-10,13H2,1-4H3,(H,14,16);1H
InChIKeyFLXWNZKRWYLALD-UHFFFAOYSA-N
XLogP0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride (CID 119728954) is 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCCN(C)S(=O)(=O)CC.Cl.
What is the InChIKey of 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride?
The InChIKey is FLXWNZKRWYLALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S.ClH/c1-5-8-12(3,13)11(16)14-9-7-10-15(4)19(17,18)6-2;/h5-10,13H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride has a molecular weight of 329.89 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119728954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).