2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H27N3O4S — CID 8694091

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C18H27N3O4S/c22-18(19-13-17-7-4-12-25-17)14-20-8-10-21(11-9-20)26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m0/s1
InChIKeySTTKYARJHWSVFO-KRWDZBQOSA-N
MW381.50 g/mol
LogP0.43
Rot. Bonds7

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 8694091) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID8694091
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C18H27N3O4S/c22-18(19-13-17-7-4-12-25-17)14-20-8-10-21(11-9-20)26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m0/s1
InChIKeySTTKYARJHWSVFO-KRWDZBQOSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
1-benzylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 55690454
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
N-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyrrolidin-1-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 92672920
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 162628228
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20953903

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 8694091) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is STTKYARJHWSVFO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(19-13-17-7-4-12-25-17)14-20-8-10-21(11-9-20)26(23,24)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,19,22)/t17-/m0/s1.
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 8694091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).