(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine

C10H21NO3S — CID 163719810

IUPAC(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCCCS(=O)(=O)N1CCC[C@H]1COC
InChIInChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11-7-5-6-10(11)9-14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKQOGTLWNENFVTF-JTQLQIEISA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds6

About (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine

(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine (PubChem CID 163719810) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine
PubChem CID163719810
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine
SMILESCCCCS(=O)(=O)N1CCC[C@H]1COC
InChIInChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11-7-5-6-10(11)9-14-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyKQOGTLWNENFVTF-JTQLQIEISA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine (CID 163719810) is (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine is CCCCS(=O)(=O)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine?
The InChIKey is KQOGTLWNENFVTF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11-7-5-6-10(11)9-14-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine?
(2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine has a molecular weight of 235.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butylsulfonyl-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 163719810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).