1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine

C18H26N2O2S — CID 7026506

IUPAC1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-3,5-6,9-10,17H,4,7-8,11-16H2/t17-/m0/s1
InChIKeyMFMJAZWNCUWDQV-KRWDZBQOSA-N
MW334.48 g/mol
LogP2.49
Rot. Bonds5

About 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine

1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine (PubChem CID 7026506) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
PubChem CID7026506
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-3,5-6,9-10,17H,4,7-8,11-16H2/t17-/m0/s1
InChIKeyMFMJAZWNCUWDQV-KRWDZBQOSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366153
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342116
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
1-(1-benzylpiperidin-4-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 17366895
1-(cyclopropylmethyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 110708725
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
1-(cyclohex-3-en-1-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 2879924
1-[(3-bromophenyl)methyl]-4-(cyclohex-3-en-1-ylmethyl)piperazine;oxalic acid
CID 2879112
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
2-[[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylmethyl]aniline
CID 62019983
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine (CID 7026506) is 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine is O=S(=O)(Cc1ccccc1)N1CCN(C[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
The InChIKey is MFMJAZWNCUWDQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-23(22,16-18-9-5-2-6-10-18)20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-3,5-6,9-10,17H,4,7-8,11-16H2/t17-/m0/s1.
What are the key properties of 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine?
1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine has a molecular weight of 334.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine is sourced from PubChem (CID 7026506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).