4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide

C16H26N2O2S — CID 60824035

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-5-13(2)18(3)21(19,20)16-10-6-14(7-11-16)12-17-15-8-9-15/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3
InChIKeyNBRJIQXCCZYJIY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.75
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide

4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 60824035) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID60824035
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-5-13(2)18(3)21(19,20)16-10-6-14(7-11-16)12-17-15-8-9-15/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3
InChIKeyNBRJIQXCCZYJIY-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63958323
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N-butan-2-yl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824808
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-(1-hydroxypropan-2-yl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 104552576
4-N-(1-aminopropan-2-yl)-1-N-cyclopropyl-4-N-methylbenzene-1,4-disulfonamide
CID 119982801
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide (CID 60824035) is 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is NBRJIQXCCZYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-5-13(2)18(3)21(19,20)16-10-6-14(7-11-16)12-17-15-8-9-15/h6-7,10-11,13,15,17H,4-5,8-9,12H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide?
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 60824035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).