3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride

C10H20ClNO2S — CID 112594739

IUPAC3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
SMILESCC(C)C1CCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)10-5-3-6-12(10)7-4-8-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyWUVGIGRENWVGJN-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.07
Rot. Bonds5

About 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride

3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride (PubChem CID 112594739) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
PubChem CID112594739
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
SMILESCC(C)C1CCCN1CCCS(=O)(=O)Cl
InChIInChI=1S/C10H20ClNO2S/c1-9(2)10-5-3-6-12(10)7-4-8-15(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyWUVGIGRENWVGJN-UHFFFAOYSA-N
XLogP2.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propane-1-sulfonyl chloride
CID 112594724
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
3-(3-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548987
2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 106806356
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
CID 79568823
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
1-piperazin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120980816
2-ethyl-4-(2-propan-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 77102016

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride (CID 112594739) is 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride is CC(C)C1CCCN1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride?
The InChIKey is WUVGIGRENWVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-9(2)10-5-3-6-12(10)7-4-8-15(11,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride?
3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride has a molecular weight of 253.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).