(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine

C15H26N4O2S — CID 129334154

IUPAC(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)CC2CCCCC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H26N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyNGGPAOUUDDDICS-AWEZNQCLSA-N
MW326.47 g/mol
LogP1.61
Rot. Bonds4

About (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine

(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 129334154) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID129334154
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)CC2CCCCC2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C15H26N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyNGGPAOUUDDDICS-AWEZNQCLSA-N
XLogP1.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 129334154) is (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(S(=O)(=O)CC2CCCCC2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is NGGPAOUUDDDICS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-18-9-10-19(11-14(18)15-16-7-8-17-15)22(20,21)12-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine?
(2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 326.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(cyclohexylmethylsulfonyl)-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 129334154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).