1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide

C14H23N3O2S — CID 105413522

IUPAC1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)Cc2ccccc2N)CCC1
InChIInChI=1S/C14H23N3O2S/c1-17(2)14(8-5-9-14)11-16-20(18,19)10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11,15H2,1-2H3
InChIKeyKYPKMQRSTBDEOW-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.17
Rot. Bonds6

About 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide

1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide (PubChem CID 105413522) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
PubChem CID105413522
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)Cc2ccccc2N)CCC1
InChIInChI=1S/C14H23N3O2S/c1-17(2)14(8-5-9-14)11-16-20(18,19)10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11,15H2,1-2H3
InChIKeyKYPKMQRSTBDEOW-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine
CID 11184058
N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 71989095
N-Ethyl-N-(beta-methylsulfonamidoethyl)-m-toluidine
CID 168663
(4-aminophenyl)-N-methylmethylenesulfonamide hydrochloride
CID 14234262
N-[2-(aminomethyl)phenyl]Methanesulfonamide
CID 16772234
N-(2-(Dimethylamino)ethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 76332108
2-[2-(dimethylamino)ethyl-methylamino]-N-phenylethanesulfonamide
CID 76332113
4-Amino-N-methylbenzenemethanesulfonamide
CID 2778131
(2-Aminophenyl)methanesulfonamide
CID 13266254
4-[(4-(Propylsulfonyl)piperazin-1-yl)methyl]aniline
CID 28273548
N-[2-(aminomethyl)phenyl]methanesulfonamide hydrochloride
CID 42937262

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide (CID 105413522) is 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide is CN(C)C1(CNS(=O)(=O)Cc2ccccc2N)CCC1.
What is the InChIKey of 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide?
The InChIKey is KYPKMQRSTBDEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(2)14(8-5-9-14)11-16-20(18,19)10-12-6-3-4-7-13(12)15/h3-4,6-7,16H,5,8-11,15H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide?
1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]methanesulfonamide is sourced from PubChem (CID 105413522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).