N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide

C13H20N2O2S — CID 115267734

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-5-3-4-6-12(11)18(16,17)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3
InChIKeyXIRSKDYTBWHUJV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.35
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 115267734) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide
PubChem CID115267734
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C13H20N2O2S/c1-11-5-3-4-6-12(11)18(16,17)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3
InChIKeyXIRSKDYTBWHUJV-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl-p-toluenesulfonamide
CID 61285
N-Ethyl-o-toluenesulfonamide
CID 14110
Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522
p-Toluenesulfonamide, N-(2-dimethylaminoethyl)-
CID 101480
N,N,2-trimethylbenzenesulfonamide
CID 290584
N-(3-Aminopropyl)-4-methylbenzene-1-sulfonamide
CID 15444563
N-butyl-N-ethyl-4-methylbenzenesulfonamide
CID 2164632
p-Toluenesulfonamide, N-(3-diethylaminopropyl)-
CID 208541
N-(3-Dimethylamino-propyl)-4-methyl-benzenesulfonamide
CID 6603144
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
N,N-Dibutyltoluenesulfonamide
CID 221467

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide (CID 115267734) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is XIRSKDYTBWHUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-5-3-4-6-12(11)18(16,17)15(2)10-13(9-14)7-8-13/h3-6H,7-10,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 115267734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).