1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine

C14H21FN4O3S — CID 97039525

IUPAC1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
SMILESCN(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyJXGXEQFESLKCQT-ZDUSSCGKSA-N
MW344.41 g/mol
LogP0.16
Rot. Bonds7

About 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine

1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine (PubChem CID 97039525) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine.

Molecular Properties

Compound Name1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
PubChem CID97039525
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
SMILESCN(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyJXGXEQFESLKCQT-ZDUSSCGKSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44418549
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CID 16197239
CID 16197239
CID 19378891
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CID 44370699
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CID 46230907
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CID 57451
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CID 57458
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CID 60534
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CID 2974528
CID 2974528

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The IUPAC name of 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine (CID 97039525) is 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine.
What is the SMILES notation for 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The canonical SMILES for 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine is CN(C)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The InChIKey is JXGXEQFESLKCQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine has a molecular weight of 344.41 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine is sourced from PubChem (CID 97039525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).