1-butylsulfonyl-2-methylpyrrolidine

C9H19NO2S — CID 13468221

IUPAC1-butylsulfonyl-2-methylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C9H19NO2S/c1-3-4-8-13(11,12)10-7-5-6-9(10)2/h9H,3-8H2,1-2H3
InChIKeyRTRGZARQEJRYDT-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.60
Rot. Bonds4

About 1-butylsulfonyl-2-methylpyrrolidine

1-butylsulfonyl-2-methylpyrrolidine (PubChem CID 13468221) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-butylsulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-butylsulfonyl-2-methylpyrrolidine
PubChem CID13468221
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-butylsulfonyl-2-methylpyrrolidine
SMILESCCCCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C9H19NO2S/c1-3-4-8-13(11,12)10-7-5-6-9(10)2/h9H,3-8H2,1-2H3
InChIKeyRTRGZARQEJRYDT-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-2-methylpyrrolidine?
The IUPAC name of 1-butylsulfonyl-2-methylpyrrolidine (CID 13468221) is 1-butylsulfonyl-2-methylpyrrolidine.
What is the SMILES notation for 1-butylsulfonyl-2-methylpyrrolidine?
The canonical SMILES for 1-butylsulfonyl-2-methylpyrrolidine is CCCCS(=O)(=O)N1CCCC1C.
What is the InChIKey of 1-butylsulfonyl-2-methylpyrrolidine?
The InChIKey is RTRGZARQEJRYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-4-8-13(11,12)10-7-5-6-9(10)2/h9H,3-8H2,1-2H3.
What are the key properties of 1-butylsulfonyl-2-methylpyrrolidine?
1-butylsulfonyl-2-methylpyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 13468221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).