[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium

C17H27N4O4S+ — CID 9053661

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H26N4O4S/c1-12(21(4)11-16(22)18-13-8-9-13)17(23)19-14-6-5-7-15(10-14)26(24,25)20(2)3/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,22)(H,19,23)/p+1/t12-/m1/s1
InChIKeyHYCORDZBFKCQTC-GFCCVEGCSA-O
MW383.49 g/mol
LogP-0.94
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium

[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium (PubChem CID 9053661) has the molecular formula C17H27N4O4S+ and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
PubChem CID9053661
Molecular FormulaC17H27N4O4S+
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C17H26N4O4S/c1-12(21(4)11-16(22)18-13-8-9-13)17(23)19-14-6-5-7-15(10-14)26(24,25)20(2)3/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,22)(H,19,23)/p+1/t12-/m1/s1
InChIKeyHYCORDZBFKCQTC-GFCCVEGCSA-O
XLogP-0.94
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium with MolForge

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Related Compounds

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515787
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8515783
1,3-benzodioxol-5-ylmethyl-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
CID 8748105
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9053620
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium (CID 9053661) is [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium?
The InChIKey is HYCORDZBFKCQTC-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H26N4O4S/c1-12(21(4)11-16(22)18-13-8-9-13)17(23)19-14-6-5-7-15(10-14)26(24,25)20(2)3/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,18,22)(H,19,23)/p+1/t12-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium?
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium has a molecular weight of 383.49 g/mol, XLogP of -0.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).