1-(3-methylbutylsulfonyl)pyrrolidine

C9H19NO2S — CID 58689031

IUPAC1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19NO2S/c1-9(2)5-8-13(11,12)10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyBNXIVDFKTOGMTH-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)pyrrolidine

1-(3-methylbutylsulfonyl)pyrrolidine (PubChem CID 58689031) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)pyrrolidine
PubChem CID58689031
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19NO2S/c1-9(2)5-8-13(11,12)10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyBNXIVDFKTOGMTH-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)pyrrolidine?
The IUPAC name of 1-(3-methylbutylsulfonyl)pyrrolidine (CID 58689031) is 1-(3-methylbutylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)pyrrolidine is CC(C)CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)pyrrolidine?
The InChIKey is BNXIVDFKTOGMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)5-8-13(11,12)10-6-3-4-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)pyrrolidine?
1-(3-methylbutylsulfonyl)pyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)pyrrolidine is sourced from PubChem (CID 58689031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).