1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide

C10H18N2O2S — CID 115766849

IUPAC1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-3-10(6-11)15(13,14)12-7-8(2)9-4-5-9/h8-10,12H,3-5,7H2,1-2H3
InChIKeyNYUACRIGJYNYHV-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.25
Rot. Bonds6

About 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide

1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide (PubChem CID 115766849) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
PubChem CID115766849
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C10H18N2O2S/c1-3-10(6-11)15(13,14)12-7-8(2)9-4-5-9/h8-10,12H,3-5,7H2,1-2H3
InChIKeyNYUACRIGJYNYHV-UHFFFAOYSA-N
XLogP1.25
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302855
1-cyano-N-(2-cyclobutylethyl)propane-1-sulfonamide
CID 115766969
1-cyano-N-(1-oxothian-4-yl)propane-1-sulfonamide
CID 104600188
methyl 3-(1-cyanopropylsulfonylamino)-2-hydroxypropanoate
CID 103946969
N-[2-[4-(4-cyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713992
1-cyano-N-(3-methylsulfanylbutyl)propane-1-sulfonamide
CID 115766863
N-(azepan-4-yl)-1-cyanopropane-1-sulfonamide
CID 107172726
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
CID 114083935
N-[2-[4-(2-isocyanophenyl)cyclohexyl]propyl]propane-2-sulfonamide
CID 18713902
1-cyano-N-[(2-hydroxyphenyl)methyl]propane-1-sulfonamide
CID 113338253

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide (CID 115766849) is 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide?
The InChIKey is NYUACRIGJYNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-10(6-11)15(13,14)12-7-8(2)9-4-5-9/h8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide?
1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-cyclopropylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 115766849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).