N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide

C11H22N2O2S — CID 90438041

IUPACN-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC(C)(C)N1CC[C@@H](NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)13-7-6-9(8-13)12-16(14,15)10-4-5-10/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyICARVZLXNIYXAE-SECBINFHSA-N
MW246.38 g/mol
LogP0.94
Rot. Bonds3

About N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide

N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide (PubChem CID 90438041) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide
PubChem CID90438041
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide
SMILESCC(C)(C)N1CC[C@@H](NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-11(2,3)13-7-6-9(8-13)12-16(14,15)10-4-5-10/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyICARVZLXNIYXAE-SECBINFHSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide (CID 90438041) is N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide is CC(C)(C)N1CC[C@@H](NS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide?
The InChIKey is ICARVZLXNIYXAE-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(2,3)13-7-6-9(8-13)12-16(14,15)10-4-5-10/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide?
N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-tert-butylpyrrolidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 90438041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).