(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine

C15H20ClNO3S — CID 129357025

IUPAC(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17-7-6-13(9-17)20-10-12-3-4-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyLHOIINLSJIPXPH-CYBMUJFWSA-N
MW329.85 g/mol
LogP2.84
Rot. Bonds5

About (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine

(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine (PubChem CID 129357025) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
PubChem CID129357025
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cc1Cl
InChIInChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17-7-6-13(9-17)20-10-12-3-4-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3/t13-/m1/s1
InChIKeyLHOIINLSJIPXPH-CYBMUJFWSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-(4-tert-butylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 121197737
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
3-(cyclopropylmethoxy)-1-(4-ethoxy-3-fluorophenyl)sulfonylpyrrolidine
CID 121197743
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
3-(cyclopropylmethoxy)-1-ethylsulfonylpyrrolidine
CID 121197695
1-(3,4-dichlorophenyl)sulfonyl-3-(methoxymethyl)piperidine
CID 110869927

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine (CID 129357025) is (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine is Cc1ccc(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)cc1Cl.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine?
The InChIKey is LHOIINLSJIPXPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-11-2-5-14(8-15(11)16)21(18,19)17-7-6-13(9-17)20-10-12-3-4-12/h2,5,8,12-13H,3-4,6-7,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine?
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine has a molecular weight of 329.85 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine is sourced from PubChem (CID 129357025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).