N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide

C10H22N2O2S — CID 58530494

IUPACN-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)6-7-11-15(13,14)12-8-4-5-9-12/h11H,4-9H2,1-3H3
InChIKeyJTNYPRXWLAEMQW-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.35
Rot. Bonds4

About N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide

N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide (PubChem CID 58530494) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide
PubChem CID58530494
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)6-7-11-15(13,14)12-8-4-5-9-12/h11H,4-9H2,1-3H3
InChIKeyJTNYPRXWLAEMQW-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide (CID 58530494) is N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide is CC(C)(C)CCNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide?
The InChIKey is JTNYPRXWLAEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)6-7-11-15(13,14)12-8-4-5-9-12/h11H,4-9H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide?
N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 58530494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).