3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine

C15H20ClNO2S — CID 114801907

IUPAC3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CCCl)C1
InChIInChI=1S/C15H20ClNO2S/c16-8-6-12-7-9-17(11-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2
InChIKeyVWIRIMFYGPMYJN-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.81
Rot. Bonds4

About 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine

3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine (PubChem CID 114801907) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
PubChem CID114801907
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CCCl)C1
InChIInChI=1S/C15H20ClNO2S/c16-8-6-12-7-9-17(11-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2
InChIKeyVWIRIMFYGPMYJN-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 63397341
3-(2-bromoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80674181
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine?
The IUPAC name of 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine (CID 114801907) is 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine is O=S(=O)(c1ccc2c(c1)CCC2)N1CCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine?
The InChIKey is VWIRIMFYGPMYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c16-8-6-12-7-9-17(11-12)20(18,19)15-5-4-13-2-1-3-14(13)10-15/h4-5,10,12H,1-3,6-9,11H2.
What are the key properties of 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine?
3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine has a molecular weight of 313.85 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 114801907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).