N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide

C15H22N4O4S — CID 90932964

IUPACN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
SMILESCC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2nccc3oncc23)C1
InChIInChI=1S/C15H22N4O4S/c1-10-5-11(2)19(8-10)9-12(20)6-18-24(21,22)15-13-7-17-23-14(13)3-4-16-15/h3-4,7,10-12,18,20H,5-6,8-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyDTLVDUZBXURTPS-MCIGGMRASA-N
MW354.43 g/mol
LogP0.59
Rot. Bonds6

About N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide

N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide (PubChem CID 90932964) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
PubChem CID90932964
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC NameN-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide
SMILESCC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2nccc3oncc23)C1
InChIInChI=1S/C15H22N4O4S/c1-10-5-11(2)19(8-10)9-12(20)6-18-24(21,22)15-13-7-17-23-14(13)3-4-16-15/h3-4,7,10-12,18,20H,5-6,8-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyDTLVDUZBXURTPS-MCIGGMRASA-N
XLogP0.59
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The IUPAC name of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide (CID 90932964) is N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide.
What is the SMILES notation for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The canonical SMILES for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide is CC1CC(C)N(C[C@@H](O)CNS(=O)(=O)c2nccc3oncc23)C1.
What is the InChIKey of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
The InChIKey is DTLVDUZBXURTPS-MCIGGMRASA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-10-5-11(2)19(8-10)9-12(20)6-18-24(21,22)15-13-7-17-23-14(13)3-4-16-15/h3-4,7,10-12,18,20H,5-6,8-9H2,1-2H3/t10?,11?,12-/m0/s1.
What are the key properties of N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide?
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide has a molecular weight of 354.43 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-[1,2]oxazolo[4,5-c]pyridine-4-sulfonamide is sourced from PubChem (CID 90932964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).