N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H21N3O3S — CID 106737884

IUPACN-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11(7-13)10-5-3-4-6-10/h10-11,15H,3-7,13H2,1-2H3
InChIKeyMXICZRCXGIBSSZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.09
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 106737884) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID106737884
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C12H21N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11(7-13)10-5-3-4-6-10/h10-11,15H,3-7,13H2,1-2H3
InChIKeyMXICZRCXGIBSSZ-UHFFFAOYSA-N
XLogP1.09
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
N-(1-aminohexan-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993044
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 119423221
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149
N-[(1S,2R)-2-(cyclooctylamino)cyclobutyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 56882966
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120713687
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 106737884) is N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(CN)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MXICZRCXGIBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-12(9(2)18-14-8)19(16,17)15-11(7-13)10-5-3-4-6-10/h10-11,15H,3-7,13H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 106737884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).