N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

C15H24N2O2S — CID 116652129

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-6-8-14(9-7-12)20(18,19)17(3)15(10-16)13-4-5-13/h6-9,11,13,15H,4-5,10,16H2,1-3H3
InChIKeyIXXVZDVUBZVHQZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.17
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 116652129) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID116652129
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-6-8-14(9-7-12)20(18,19)17(3)15(10-16)13-4-5-13/h6-9,11,13,15H,4-5,10,16H2,1-3H3
InChIKeyIXXVZDVUBZVHQZ-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 116652152
N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 116652197
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 116652162
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
CID 114795586
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 116652221
N-(2-amino-1-cyclopropylethyl)-4-chloro-N,1-dimethylpyrazole-5-sulfonamide
CID 106315477
N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 116652179
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylpropane-2-sulfonamide
CID 116652176
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 116652294

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 116652129) is N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is IXXVZDVUBZVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12-6-8-14(9-7-12)20(18,19)17(3)15(10-16)13-4-5-13/h6-9,11,13,15H,4-5,10,16H2,1-3H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 116652129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).