N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide

C9H20N2O3S — CID 79255507

IUPACN-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H20N2O3S/c1-8(2)9(7-12)10-15(13,14)11-5-3-4-6-11/h8-10,12H,3-7H2,1-2H3
InChIKeyBUEXSQYPRMCQTJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.07
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide

N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 79255507) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID79255507
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H20N2O3S/c1-8(2)9(7-12)10-15(13,14)11-5-3-4-6-11/h8-10,12H,3-7H2,1-2H3
InChIKeyBUEXSQYPRMCQTJ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide (CID 79255507) is N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide is CC(C)C(CO)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is BUEXSQYPRMCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(2)9(7-12)10-15(13,14)11-5-3-4-6-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide?
N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 79255507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).