N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride

C12H22Cl2N4O3S — CID 120830025

IUPACN-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)CN(C)S(=O)(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C12H20N4O3S.2ClH/c1-10(13-2)7-15-12(17)9-16(3)20(18,19)11-5-4-6-14-8-11;;/h4-6,8,10,13H,7,9H2,1-3H3,(H,15,17);2*1H
InChIKeyFDIXVIONKZBGPX-UHFFFAOYSA-N
MW373.31 g/mol
LogP0.27
Rot. Bonds7

About N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride

N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride (PubChem CID 120830025) has the molecular formula C12H22Cl2N4O3S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
PubChem CID120830025
Molecular FormulaC12H22Cl2N4O3S
Molecular Weight373.31 g/mol
Exact Mass372.08
IUPAC NameN-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
SMILESCNC(C)CNC(=O)CN(C)S(=O)(=O)c1cccnc1.Cl.Cl
InChIInChI=1S/C12H20N4O3S.2ClH/c1-10(13-2)7-15-12(17)9-16(3)20(18,19)11-5-4-6-14-8-11;;/h4-6,8,10,13H,7,9H2,1-3H3,(H,15,17);2*1H
InChIKeyFDIXVIONKZBGPX-UHFFFAOYSA-N
XLogP0.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
2-methyl-N-[4-[[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55670864
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666194
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride (CID 120830025) is N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride is CNC(C)CNC(=O)CN(C)S(=O)(=O)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride?
The InChIKey is FDIXVIONKZBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S.2ClH/c1-10(13-2)7-15-12(17)9-16(3)20(18,19)11-5-4-6-14-8-11;;/h4-6,8,10,13H,7,9H2,1-3H3,(H,15,17);2*1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride?
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride has a molecular weight of 373.31 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride is sourced from PubChem (CID 120830025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).