1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide

C9H19N3O2S — CID 115302855

IUPAC1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC(C)CNC
InChIInChI=1S/C9H19N3O2S/c1-4-9(5-10)15(13,14)12-7-8(2)6-11-3/h8-9,11-12H,4,6-7H2,1-3H3
InChIKeyFBWJLBRMKCRCKO-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.06
Rot. Bonds7

About 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide

1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide (PubChem CID 115302855) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
PubChem CID115302855
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC(C)CNC
InChIInChI=1S/C9H19N3O2S/c1-4-9(5-10)15(13,14)12-7-8(2)6-11-3/h8-9,11-12H,4,6-7H2,1-3H3
InChIKeyFBWJLBRMKCRCKO-UHFFFAOYSA-N
XLogP0.06
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
CID 115766849
methyl 3-(1-cyanopropylsulfonylamino)-2-hydroxypropanoate
CID 103946969
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
CID 104682866
4-(1-cyanopropylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanopropane-1-sulfonamide
CID 66408014
1-cyano-N-[(2-hydroxyphenyl)methyl]propane-1-sulfonamide
CID 113338253
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-tert-butyl-3-(1-cyanopropylsulfonylamino)propanamide
CID 112705179
2-[2-(1-cyanopropylsulfonylamino)ethoxy]acetic acid
CID 79457178

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide (CID 115302855) is 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC(C)CNC.
What is the InChIKey of 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
The InChIKey is FBWJLBRMKCRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-4-9(5-10)15(13,14)12-7-8(2)6-11-3/h8-9,11-12H,4,6-7H2,1-3H3.
What are the key properties of 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide?
1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide has a molecular weight of 233.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide is sourced from PubChem (CID 115302855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).