2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride

C10H24ClN3O3S — CID 119299946

IUPAC2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
SMILESCCN(CCCNC(=O)C(C)(C)N)S(C)(=O)=O.Cl
InChIInChI=1S/C10H23N3O3S.ClH/c1-5-13(17(4,15)16)8-6-7-12-9(14)10(2,3)11;/h5-8,11H2,1-4H3,(H,12,14);1H
InChIKeyXEJNTRIEAKIRBA-UHFFFAOYSA-N
MW301.84 g/mol
LogP-0.07
Rot. Bonds7

About 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride (PubChem CID 119299946) has the molecular formula C10H24ClN3O3S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
PubChem CID119299946
Molecular FormulaC10H24ClN3O3S
Molecular Weight301.84 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
SMILESCCN(CCCNC(=O)C(C)(C)N)S(C)(=O)=O.Cl
InChIInChI=1S/C10H23N3O3S.ClH/c1-5-13(17(4,15)16)8-6-7-12-9(14)10(2,3)11;/h5-8,11H2,1-4H3,(H,12,14);1H
InChIKeyXEJNTRIEAKIRBA-UHFFFAOYSA-N
XLogP-0.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 5-0.07
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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Related Compounds

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
3-[(2-amino-2-methylpropanoyl)amino]propane-1-sulfonic acid
CID 59745216
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 103359211
2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
CID 119728954
(2S,5R)-5-(aminomethyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-2-carboxamide;hydrochloride
CID 120789211
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride (CID 119299946) is 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride is CCN(CCCNC(=O)C(C)(C)N)S(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride?
The InChIKey is XEJNTRIEAKIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S.ClH/c1-5-13(17(4,15)16)8-6-7-12-9(14)10(2,3)11;/h5-8,11H2,1-4H3,(H,12,14);1H.
What are the key properties of 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride has a molecular weight of 301.84 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119299946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).