(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine

C14H25N3O2S — CID 124887881

IUPAC(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
SMILESC[C@H]1CCN(S(=O)(=O)CC(C)(C)C)C[C@H]1n1ccnc1
InChIInChI=1S/C14H25N3O2S/c1-12-5-7-17(20(18,19)10-14(2,3)4)9-13(12)16-8-6-15-11-16/h6,8,11-13H,5,7,9-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyUKPAKNYIFLPJIF-QWHCGFSZSA-N
MW299.44 g/mol
LogP2.14
Rot. Bonds3

About (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine

(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine (PubChem CID 124887881) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
PubChem CID124887881
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine
SMILESC[C@H]1CCN(S(=O)(=O)CC(C)(C)C)C[C@H]1n1ccnc1
InChIInChI=1S/C14H25N3O2S/c1-12-5-7-17(20(18,19)10-14(2,3)4)9-13(12)16-8-6-15-11-16/h6,8,11-13H,5,7,9-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyUKPAKNYIFLPJIF-QWHCGFSZSA-N
XLogP2.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)sulfonyl-3-imidazol-1-yl-4-methylpiperidine
CID 154779738
4-bromo-1-(2,2-dimethylpropylsulfonyl)-3-methylpiperidine
CID 114683775
1-(2,2-dimethylpropylsulfonyl)-N-ethyl-3-methylpiperidin-4-amine
CID 114498948
3-bromo-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 80670009
(3S,4S)-N-cyclopentyl-3-imidazol-1-yl-N,4-dimethylpiperidine-1-carboxamide
CID 124875381
3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 133494579
3-(2,2-dimethylpropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314221
3-imidazol-1-yl-4-methyl-1-(3-methylsulfonyl-2-nitrophenyl)piperidine
CID 133414420
6-(3-imidazol-1-yl-4-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054346
3-(2-chloroethyl)-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 114801945
4-bromo-1-(2,2-dimethylpropylsulfonyl)piperidine
CID 80672434
3-imidazol-1-yl-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine
CID 75514660

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine?
The IUPAC name of (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine (CID 124887881) is (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine.
What is the SMILES notation for (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine?
The canonical SMILES for (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine is C[C@H]1CCN(S(=O)(=O)CC(C)(C)C)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine?
The InChIKey is UKPAKNYIFLPJIF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12-5-7-17(20(18,19)10-14(2,3)4)9-13(12)16-8-6-15-11-16/h6,8,11-13H,5,7,9-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine?
(3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine has a molecular weight of 299.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2,2-dimethylpropylsulfonyl)-3-imidazol-1-yl-4-methylpiperidine is sourced from PubChem (CID 124887881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).