N-(3-methylbutyl)pyrrolidine-3-sulfonamide

C9H20N2O2S — CID 65421561

IUPACN-(3-methylbutyl)pyrrolidine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)3-6-11-14(12,13)9-4-5-10-7-9/h8-11H,3-7H2,1-2H3
InChIKeyBSQWPWLHYIQYPS-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.31
Rot. Bonds5

About N-(3-methylbutyl)pyrrolidine-3-sulfonamide

N-(3-methylbutyl)pyrrolidine-3-sulfonamide (PubChem CID 65421561) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(3-methylbutyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)pyrrolidine-3-sulfonamide
PubChem CID65421561
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(3-methylbutyl)pyrrolidine-3-sulfonamide
SMILESCC(C)CCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)3-6-11-14(12,13)9-4-5-10-7-9/h8-11H,3-7H2,1-2H3
InChIKeyBSQWPWLHYIQYPS-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(3-methylbutyl)pyrrolidine-3-sulfonamide (CID 65421561) is N-(3-methylbutyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)pyrrolidine-3-sulfonamide is CC(C)CCNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-(3-methylbutyl)pyrrolidine-3-sulfonamide?
The InChIKey is BSQWPWLHYIQYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)3-6-11-14(12,13)9-4-5-10-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(3-methylbutyl)pyrrolidine-3-sulfonamide?
N-(3-methylbutyl)pyrrolidine-3-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65421561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).