N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide

C12H15N3O3S — CID 126823927

IUPACN-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide
SMILESCc1noc2cc(NS(=O)(=O)N3CCCC3)ccc12
InChIInChI=1S/C12H15N3O3S/c1-9-11-5-4-10(8-12(11)18-13-9)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyNHKHMVHMZYEQIW-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.89
Rot. Bonds3

About N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide

N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide (PubChem CID 126823927) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide
PubChem CID126823927
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide
SMILESCc1noc2cc(NS(=O)(=O)N3CCCC3)ccc12
InChIInChI=1S/C12H15N3O3S/c1-9-11-5-4-10(8-12(11)18-13-9)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyNHKHMVHMZYEQIW-UHFFFAOYSA-N
XLogP1.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide (CID 126823927) is N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide is Cc1noc2cc(NS(=O)(=O)N3CCCC3)ccc12.
What is the InChIKey of N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide?
The InChIKey is NHKHMVHMZYEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-11-5-4-10(8-12(11)18-13-9)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide?
N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-benzoxazol-6-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 126823927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).