N-tert-butylpyrrolidine-1-sulfonamide

C8H18N2O2S — CID 60723568

IUPACN-tert-butylpyrrolidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)9-13(11,12)10-6-4-5-7-10/h9H,4-7H2,1-3H3
InChIKeyLDCULXXZNKMLMV-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.72
Rot. Bonds2

About N-tert-butylpyrrolidine-1-sulfonamide

N-tert-butylpyrrolidine-1-sulfonamide (PubChem CID 60723568) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-tert-butylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylpyrrolidine-1-sulfonamide
PubChem CID60723568
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-tert-butylpyrrolidine-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)9-13(11,12)10-6-4-5-7-10/h9H,4-7H2,1-3H3
InChIKeyLDCULXXZNKMLMV-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpyrrolidine-1-sulfonamide?
The IUPAC name of N-tert-butylpyrrolidine-1-sulfonamide (CID 60723568) is N-tert-butylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-tert-butylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-tert-butylpyrrolidine-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-tert-butylpyrrolidine-1-sulfonamide?
The InChIKey is LDCULXXZNKMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,3)9-13(11,12)10-6-4-5-7-10/h9H,4-7H2,1-3H3.
What are the key properties of N-tert-butylpyrrolidine-1-sulfonamide?
N-tert-butylpyrrolidine-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 60723568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).