(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide

C13H19N3O3S — CID 7443073

IUPAC(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESC[C@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyWQGBUOZQOBJKMW-NSHDSACASA-N
MW297.38 g/mol
LogP1.02
Rot. Bonds2

About (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide

(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide (PubChem CID 7443073) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
PubChem CID7443073
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide
SMILESC[C@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyWQGBUOZQOBJKMW-NSHDSACASA-N
XLogP1.02
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7450033
3-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-phenylimidazolidine-1-carboxamide
CID 17340702
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]propan-1-one
CID 6935280
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
4-(benzenesulfonyl)-3-formylpiperazine-1-carboxylic acid
CID 121377708
(4R)-1,3-bis(benzenesulfonyl)-4-methylimidazolidine
CID 124927772
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The IUPAC name of (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide (CID 7443073) is (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide.
What is the SMILES notation for (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The canonical SMILES for (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide is C[C@H]1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
The InChIKey is WQGBUOZQOBJKMW-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-11-15(13(17)14(2)3)9-10-16(11)20(18,19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide?
(2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(benzenesulfonyl)-N,N,2-trimethylimidazolidine-1-carboxamide is sourced from PubChem (CID 7443073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).