2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide

C13H20N2O4S2 — CID 62856614

IUPAC2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C13H20N2O4S2/c1-15(9-10-4-3-5-10)21(18,19)13-8-11(20(2,16)17)6-7-12(13)14/h6-8,10H,3-5,9,14H2,1-2H3
InChIKeyZFOJLNILNWBGHN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.09
Rot. Bonds5

About 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide

2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 62856614) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID62856614
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N
InChIInChI=1S/C13H20N2O4S2/c1-15(9-10-4-3-5-10)21(18,19)13-8-11(20(2,16)17)6-7-12(13)14/h6-8,10H,3-5,9,14H2,1-2H3
InChIKeyZFOJLNILNWBGHN-UHFFFAOYSA-N
XLogP1.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62145505
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 79377506
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
5-amino-N-(cyclobutylmethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 102945989
3-amino-N-(cyclopropylmethyl)-N,2,5-trimethylbenzenesulfonamide
CID 79889318
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 82846072
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide (CID 62856614) is 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide is CN(CC1CCC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1N.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is ZFOJLNILNWBGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-15(9-10-4-3-5-10)21(18,19)13-8-11(20(2,16)17)6-7-12(13)14/h6-8,10H,3-5,9,14H2,1-2H3.
What are the key properties of 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-N-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 62856614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).