2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine

C10H21NO2S — CID 58689211

IUPAC2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C10H21NO2S/c1-9(2)6-8-14(12,13)11-7-4-5-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeySFWPBVVGCHYLJF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.85
Rot. Bonds4

About 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine

2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine (PubChem CID 58689211) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
PubChem CID58689211
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)N1CCCC1C
InChIInChI=1S/C10H21NO2S/c1-9(2)6-8-14(12,13)11-7-4-5-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeySFWPBVVGCHYLJF-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine?
The IUPAC name of 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine (CID 58689211) is 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine?
The canonical SMILES for 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine is CC(C)CCS(=O)(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine?
The InChIKey is SFWPBVVGCHYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)6-8-14(12,13)11-7-4-5-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine?
2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutylsulfonyl)pyrrolidine is sourced from PubChem (CID 58689211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).