3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide

C14H17N3O4S — CID 164636562

IUPAC3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc2c1CC[C@@H]2NS(=O)(=O)c1c(N)noc1C
InChIInChI=1S/C14H17N3O4S/c1-8-13(14(15)16-21-8)22(18,19)17-11-7-6-10-9(11)4-3-5-12(10)20-2/h3-5,11,17H,6-7H2,1-2H3,(H2,15,16)/t11-/m0/s1
InChIKeyOFJDOENJUWVJOQ-NSHDSACASA-N
MW323.37 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide

3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 164636562) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID164636562
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc2c1CC[C@@H]2NS(=O)(=O)c1c(N)noc1C
InChIInChI=1S/C14H17N3O4S/c1-8-13(14(15)16-21-8)22(18,19)17-11-7-6-10-9(11)4-3-5-12(10)20-2/h3-5,11,17H,6-7H2,1-2H3,(H2,15,16)/t11-/m0/s1
InChIKeyOFJDOENJUWVJOQ-NSHDSACASA-N
XLogP1.54
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide (CID 164636562) is 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide is COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1c(N)noc1C.
What is the InChIKey of 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is OFJDOENJUWVJOQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-8-13(14(15)16-21-8)22(18,19)17-11-7-6-10-9(11)4-3-5-12(10)20-2/h3-5,11,17H,6-7H2,1-2H3,(H2,15,16)/t11-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide?
3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 164636562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).