3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide

C15H25N3O2S — CID 105413651

IUPAC3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc(N)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-13(9-14(16)12(11)2)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10,16H2,1-4H3
InChIKeyZXVONDIQLXYZIZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide

3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 105413651) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
PubChem CID105413651
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc(N)c1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-13(9-14(16)12(11)2)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10,16H2,1-4H3
InChIKeyZXVONDIQLXYZIZ-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.65
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

6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-hydroxybenzenesulfonamide
CID 83108257
6-amino-5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]pyridine-3-sulfonamide
CID 105420269
4-amino-3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83113474
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327558
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
4-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,4-disulfonamide
CID 55663677
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
CID 116791950
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxybenzenesulfonamide
CID 105419464

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide (CID 105413651) is 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC2(N(C)C)CCC2)cc(N)c1C.
What is the InChIKey of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZXVONDIQLXYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-8-13(9-14(16)12(11)2)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10,16H2,1-4H3.
What are the key properties of 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide?
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 105413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).