N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide

C15H21N3O2S — CID 79699044

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2S/c1-14(2)12(17)15(3,4)13(14)18-21(19,20)11-7-5-6-10(8-11)9-16/h5-8,12-13,18H,17H2,1-4H3
InChIKeyAFNIVXNEEKGHHR-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.60
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide (PubChem CID 79699044) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide
PubChem CID79699044
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide
SMILESCC1(C)C(N)C(C)(C)C1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H21N3O2S/c1-14(2)12(17)15(3,4)13(14)18-21(19,20)11-7-5-6-10(8-11)9-16/h5-8,12-13,18H,17H2,1-4H3
InChIKeyAFNIVXNEEKGHHR-UHFFFAOYSA-N
XLogP1.60
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 79699038
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-[3-(aminomethyl)pentan-3-yl]-3-cyanobenzenesulfonamide;hydrochloride
CID 119981457
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
3-cyano-N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896523
3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651396
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide (CID 79699044) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide is CC1(C)C(N)C(C)(C)C1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide?
The InChIKey is AFNIVXNEEKGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-14(2)12(17)15(3,4)13(14)18-21(19,20)11-7-5-6-10(8-11)9-16/h5-8,12-13,18H,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 79699044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).