(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine

C15H23N3O2S — CID 139037505

IUPAC(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2C(N(C)C)=NC(C)(C)[C@@H]2C)cc1
InChIInChI=1S/C15H23N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-12(2)15(3,4)16-14(18)17(5)6/h7-10,12H,1-6H3/t12-/m0/s1
InChIKeyIMVUZRFGBVSQEF-LBPRGKRZSA-N
MW309.44 g/mol
LogP2.08
Rot. Bonds2

About (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine

(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine (PubChem CID 139037505) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine
PubChem CID139037505
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2C(N(C)C)=NC(C)(C)[C@@H]2C)cc1
InChIInChI=1S/C15H23N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-12(2)15(3,4)16-14(18)17(5)6/h7-10,12H,1-6H3/t12-/m0/s1
InChIKeyIMVUZRFGBVSQEF-LBPRGKRZSA-N
XLogP2.08
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3,4,4-trimethyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3H-pyrazole
CID 155937023
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 10685557
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1,8-naphthyridin-4-one
CID 178178489
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(1R,6R)-9-(methoxymethyl)-3,5,5-trimethyl-2-(4-methylphenyl)sulfonyl-2,4-diazabicyclo[4.3.1]deca-3,8-diene
CID 102459859
(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 15418142
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
(1R,5R)-1-methyl-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexane
CID 125495258
(2S,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrrolidine
CID 16663486

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine?
The IUPAC name of (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine (CID 139037505) is (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine.
What is the SMILES notation for (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine?
The canonical SMILES for (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine is Cc1ccc(S(=O)(=O)N2C(N(C)C)=NC(C)(C)[C@@H]2C)cc1.
What is the InChIKey of (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine?
The InChIKey is IMVUZRFGBVSQEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-7-9-13(10-8-11)21(19,20)18-12(2)15(3,4)16-14(18)17(5)6/h7-10,12H,1-6H3/t12-/m0/s1.
What are the key properties of (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine?
(4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N,4,5,5-pentamethyl-3-(4-methylphenyl)sulfonyl-4H-imidazol-2-amine is sourced from PubChem (CID 139037505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).