N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide

C14H22N2O2S — CID 114632554

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-9-5-6-11(7-10(9)2)19(17,18)16-13-8-12(15)14(13,3)4/h5-7,12-13,16H,8,15H2,1-4H3
InChIKeyKCGZDNSQEPKANT-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds3

About N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide

N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 114632554) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
PubChem CID114632554
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)cc1C
InChIInChI=1S/C14H22N2O2S/c1-9-5-6-11(7-10(9)2)19(17,18)16-13-8-12(15)14(13,3)4/h5-7,12-13,16H,8,15H2,1-4H3
InChIKeyKCGZDNSQEPKANT-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 79699038
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
CID 114632566
N-(3-amino-2,2-dimethylcyclobutyl)-2,3-dichloro-4-methylbenzenesulfonamide
CID 167878417
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 104600117
4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 114631487

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide (CID 114632554) is N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(N)C2(C)C)cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is KCGZDNSQEPKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-5-6-11(7-10(9)2)19(17,18)16-13-8-12(15)14(13,3)4/h5-7,12-13,16H,8,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 114632554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).