N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C14H17N3O3S — CID 79723355

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCc3cc(N)ccc32)no1
InChIInChI=1S/C14H17N3O3S/c1-9-6-12(16-20-9)8-21(18,19)17-14-5-2-10-7-11(15)3-4-13(10)14/h3-4,6-7,14,17H,2,5,8,15H2,1H3
InChIKeyRSBKMZLHWRWJMJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.67
Rot. Bonds4

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 79723355) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID79723355
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NC2CCc3cc(N)ccc32)no1
InChIInChI=1S/C14H17N3O3S/c1-9-6-12(16-20-9)8-21(18,19)17-14-5-2-10-7-11(15)3-4-13(10)14/h3-4,6-7,14,17H,2,5,8,15H2,1H3
InChIKeyRSBKMZLHWRWJMJ-UHFFFAOYSA-N
XLogP1.67
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 79723355) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NC2CCc3cc(N)ccc32)no1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is RSBKMZLHWRWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-6-12(16-20-9)8-21(18,19)17-14-5-2-10-7-11(15)3-4-13(10)14/h3-4,6-7,14,17H,2,5,8,15H2,1H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 79723355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).