2-methylpyrrolidine-1-sulfonyl chloride

C5H10ClNO2S — CID 60974846

IUPAC2-methylpyrrolidine-1-sulfonyl chloride
SMILESCC1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO2S/c1-5-3-2-4-7(5)10(6,8)9/h5H,2-4H2,1H3
InChIKeyXDUTVEHZDSNVHL-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.95
Rot. Bonds1

About 2-methylpyrrolidine-1-sulfonyl chloride

2-methylpyrrolidine-1-sulfonyl chloride (PubChem CID 60974846) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is 2-methylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpyrrolidine-1-sulfonyl chloride
PubChem CID60974846
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name2-methylpyrrolidine-1-sulfonyl chloride
SMILESCC1CCCN1S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO2S/c1-5-3-2-4-7(5)10(6,8)9/h5H,2-4H2,1H3
InChIKeyXDUTVEHZDSNVHL-UHFFFAOYSA-N
XLogP0.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of 2-methylpyrrolidine-1-sulfonyl chloride (CID 60974846) is 2-methylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for 2-methylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for 2-methylpyrrolidine-1-sulfonyl chloride is CC1CCCN1S(=O)(=O)Cl.
What is the InChIKey of 2-methylpyrrolidine-1-sulfonyl chloride?
The InChIKey is XDUTVEHZDSNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-5-3-2-4-7(5)10(6,8)9/h5H,2-4H2,1H3.
What are the key properties of 2-methylpyrrolidine-1-sulfonyl chloride?
2-methylpyrrolidine-1-sulfonyl chloride has a molecular weight of 183.66 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 60974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).