1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine

C20H28N2O2S2 — CID 165428077

IUPAC1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)s1
InChIInChI=1S/C20H28N2O2S2/c1-4-26(23,24)20-10-9-19(25-20)18-7-5-17(6-8-18)15-21-11-13-22(14-12-21)16(2)3/h5-10,16H,4,11-15H2,1-3H3
InChIKeyGHDIYLQVUBFWDN-UHFFFAOYSA-N
MW392.59 g/mol
LogP3.73
Rot. Bonds6

About 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine

1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine (PubChem CID 165428077) has the molecular formula C20H28N2O2S2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine
PubChem CID165428077
Molecular FormulaC20H28N2O2S2
Molecular Weight392.59 g/mol
Exact Mass392.16
IUPAC Name1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)s1
InChIInChI=1S/C20H28N2O2S2/c1-4-26(23,24)20-10-9-19(25-20)18-7-5-17(6-8-18)15-21-11-13-22(14-12-21)16(2)3/h5-10,16H,4,11-15H2,1-3H3
InChIKeyGHDIYLQVUBFWDN-UHFFFAOYSA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-ethylsulfonylthiophen-2-yl)pyridine
CID 131909402
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
3-(4-ethylsulfonylphenyl)-6-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridazine;dihydrochloride
CID 141230328
2-bromo-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetaldehyde
CID 89239415
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093
1-[(4-methylphenyl)methyl]-4-pentan-3-ylpiperazine
CID 23935430
3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propanoic acid;dihydrochloride
CID 164606828
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310090
1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 42948770
1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 59242663

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine (CID 165428077) is 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine is CCS(=O)(=O)c1ccc(-c2ccc(CN3CCN(C(C)C)CC3)cc2)s1.
What is the InChIKey of 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is GHDIYLQVUBFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S2/c1-4-26(23,24)20-10-9-19(25-20)18-7-5-17(6-8-18)15-21-11-13-22(14-12-21)16(2)3/h5-10,16H,4,11-15H2,1-3H3.
What are the key properties of 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine?
1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 392.59 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-ethylsulfonylthiophen-2-yl)phenyl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 165428077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).