3-pyrrolidin-1-ylpropane-1-sulfonyl chloride

C7H14ClNO2S — CID 99110085

IUPAC3-pyrrolidin-1-ylpropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCC1
InChIInChI=1S/C7H14ClNO2S/c8-12(10,11)7-3-6-9-4-1-2-5-9/h1-7H2
InChIKeyKUMOHKDNDIZOCW-UHFFFAOYSA-N
MW211.71 g/mol
LogP1.04
Rot. Bonds4

About 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride

3-pyrrolidin-1-ylpropane-1-sulfonyl chloride (PubChem CID 99110085) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropane-1-sulfonyl chloride
PubChem CID99110085
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name3-pyrrolidin-1-ylpropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCN1CCCC1
InChIInChI=1S/C7H14ClNO2S/c8-12(10,11)7-3-6-9-4-1-2-5-9/h1-7H2
InChIKeyKUMOHKDNDIZOCW-UHFFFAOYSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride?
The IUPAC name of 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride (CID 99110085) is 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride is O=S(=O)(Cl)CCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride?
The InChIKey is KUMOHKDNDIZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c8-12(10,11)7-3-6-9-4-1-2-5-9/h1-7H2.
What are the key properties of 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride?
3-pyrrolidin-1-ylpropane-1-sulfonyl chloride has a molecular weight of 211.71 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropane-1-sulfonyl chloride is sourced from PubChem (CID 99110085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).