(3R)-3-methylpyrrolidine-1-sulfonyl chloride

C5H10ClNO2S — CID 98114710

IUPAC(3R)-3-methylpyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyVHBMUTBWJORQJF-RXMQYKEDSA-N
MW183.66 g/mol
LogP0.81
Rot. Bonds1

About (3R)-3-methylpyrrolidine-1-sulfonyl chloride

(3R)-3-methylpyrrolidine-1-sulfonyl chloride (PubChem CID 98114710) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is (3R)-3-methylpyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R)-3-methylpyrrolidine-1-sulfonyl chloride
PubChem CID98114710
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name(3R)-3-methylpyrrolidine-1-sulfonyl chloride
SMILESC[C@@H]1CCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyVHBMUTBWJORQJF-RXMQYKEDSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylpyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3R)-3-methylpyrrolidine-1-sulfonyl chloride (CID 98114710) is (3R)-3-methylpyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3R)-3-methylpyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3R)-3-methylpyrrolidine-1-sulfonyl chloride is C[C@@H]1CCN(S(=O)(=O)Cl)C1.
What is the InChIKey of (3R)-3-methylpyrrolidine-1-sulfonyl chloride?
The InChIKey is VHBMUTBWJORQJF-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-5-2-3-7(4-5)10(6,8)9/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylpyrrolidine-1-sulfonyl chloride?
(3R)-3-methylpyrrolidine-1-sulfonyl chloride has a molecular weight of 183.66 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylpyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 98114710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).