(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine

C14H24N4O3S — CID 129328989

IUPAC(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c1-17-7-8-18(10-13(17)14-15-5-6-16-14)22(19,20)11-12-4-2-3-9-21-12/h5-6,12-13H,2-4,7-11H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyCYAVVTAHLXNLMT-QWHCGFSZSA-N
MW328.44 g/mol
LogP0.60
Rot. Bonds4

About (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine (PubChem CID 129328989) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine
PubChem CID129328989
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C14H24N4O3S/c1-17-7-8-18(10-13(17)14-15-5-6-16-14)22(19,20)11-12-4-2-3-9-21-12/h5-6,12-13H,2-4,7-11H2,1H3,(H,15,16)/t12-,13+/m0/s1
InChIKeyCYAVVTAHLXNLMT-QWHCGFSZSA-N
XLogP0.60
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129334154
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338
3-[[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]sulfonylmethyl]-1,2-benzoxazole
CID 129328510
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
(2S)-1-ethyl-2-(1H-imidazol-2-yl)-4-(oxan-4-ylmethylsulfonyl)piperazine
CID 129340949
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(3,4,5-trifluorophenyl)sulfonylpiperazine
CID 129339222
(2S)-4-(1,2-dimethylimidazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129333291
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 129338621
(2S)-4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129330517
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-thiophen-2-ylsulfonylpiperazine
CID 129334414
4-(2-bromophenyl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 128996748

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine (CID 129328989) is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine is CN1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine?
The InChIKey is CYAVVTAHLXNLMT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-17-7-8-18(10-13(17)14-15-5-6-16-14)22(19,20)11-12-4-2-3-9-21-12/h5-6,12-13H,2-4,7-11H2,1H3,(H,15,16)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine?
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine has a molecular weight of 328.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine is sourced from PubChem (CID 129328989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).