(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine

C16H18N2O4S2 — CID 124927772

IUPAC(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c1-14-12-17(23(19,20)15-8-4-2-5-9-15)13-18(14)24(21,22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeySWJZYMIMFABQEN-CQSZACIVSA-N
MW366.46 g/mol
LogP1.73
Rot. Bonds4

About (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine

(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine (PubChem CID 124927772) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine.

Molecular Properties

Compound Name(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
PubChem CID124927772
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H18N2O4S2/c1-14-12-17(23(19,20)15-8-4-2-5-9-15)13-18(14)24(21,22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeySWJZYMIMFABQEN-CQSZACIVSA-N
XLogP1.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-methyl-1-(4-methylphenyl)sulfonyl-3-(2-nitrophenyl)sulfonylimidazolidine
CID 28887605
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1-(benzenesulfonyl)-3-fluoroazetidine
CID 141433694
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590

Frequently Asked Questions

What is the IUPAC name of (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine?
The IUPAC name of (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine (CID 124927772) is (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine.
What is the SMILES notation for (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine?
The canonical SMILES for (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine is C[C@@H]1CN(S(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine?
The InChIKey is SWJZYMIMFABQEN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-14-12-17(23(19,20)15-8-4-2-5-9-15)13-18(14)24(21,22)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine?
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine has a molecular weight of 366.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine is sourced from PubChem (CID 124927772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).