(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine

C9H19NO4S2 — CID 57137794

IUPAC(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine
SMILESCCC[C@@H]1CN(S(C)(=O)=O)CC1S(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-4-5-8-6-10(16(3,13)14)7-9(8)15(2,11)12/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyNTZCLRDPHYNKSO-VEDVMXKPSA-N
MW269.39 g/mol
LogP0.09
Rot. Bonds4

About (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine

(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine (PubChem CID 57137794) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine
PubChem CID57137794
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC Name(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine
SMILESCCC[C@@H]1CN(S(C)(=O)=O)CC1S(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-4-5-8-6-10(16(3,13)14)7-9(8)15(2,11)12/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyNTZCLRDPHYNKSO-VEDVMXKPSA-N
XLogP0.09
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine?
The IUPAC name of (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine (CID 57137794) is (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine.
What is the SMILES notation for (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine?
The canonical SMILES for (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine is CCC[C@@H]1CN(S(C)(=O)=O)CC1S(C)(=O)=O.
What is the InChIKey of (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine?
The InChIKey is NTZCLRDPHYNKSO-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-4-5-8-6-10(16(3,13)14)7-9(8)15(2,11)12/h8-9H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine?
(4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine has a molecular weight of 269.39 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-bis(methylsulfonyl)-4-propylpyrrolidine is sourced from PubChem (CID 57137794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).