(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine

C15H23NO2S — CID 127259597

IUPAC(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
SMILESCCC[C@@H]1[C@@H](CCC)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-4-6-14-15(7-5-2)16(14)19(17,18)13-10-8-12(3)9-11-13/h8-11,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyADTOHIPDZDITBB-HUUCEWRRSA-N
MW281.42 g/mol
LogP3.34
Rot. Bonds6

About (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine

(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine (PubChem CID 127259597) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine.

Molecular Properties

Compound Name(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
PubChem CID127259597
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
SMILESCCC[C@@H]1[C@@H](CCC)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H23NO2S/c1-4-6-14-15(7-5-2)16(14)19(17,18)13-10-8-12(3)9-11-13/h8-11,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyADTOHIPDZDITBB-HUUCEWRRSA-N
XLogP3.34
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methanol
CID 11334708
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
2-[(2R,3R)-3-ethyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanol
CID 102091018
tert-butyl-dimethyl-[[1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methoxy]silane
CID 11269094
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
(2S,3R)-N,N-dimethoxy-1-(4-methylphenyl)sulfonyl-3-propylaziridine-2-carboxamide
CID 11221560
(2R,5R)-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole
CID 100960703
(3R,4R)-4-bromo-2-(4-methylphenyl)sulfonyl-3-propyl-1,2-oxazolidine
CID 71615202
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 132554336
CID 11296962
CID 11296962
ethyl (E)-3-[(2R,3R)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]prop-2-enoate
CID 102342020

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine?
The IUPAC name of (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine (CID 127259597) is (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine.
What is the SMILES notation for (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine?
The canonical SMILES for (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine is CCC[C@@H]1[C@@H](CCC)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine?
The InChIKey is ADTOHIPDZDITBB-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-6-14-15(7-5-2)16(14)19(17,18)13-10-8-12(3)9-11-13/h8-11,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine?
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine has a molecular weight of 281.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine is sourced from PubChem (CID 127259597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).