methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate

C12H16ClN3O5S2 — CID 9304423

IUPACmethyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClN3O5S2/c1-21-12(18)14-10(17)8-15-4-6-16(7-5-15)23(19,20)11-3-2-9(13)22-11/h2-3H,4-8H2,1H3,(H,14,17,18)
InChIKeyYVIRSRARTKKTSJ-UHFFFAOYSA-N
MW381.86 g/mol
LogP0.59
Rot. Bonds4

About methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate

methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate (PubChem CID 9304423) has the molecular formula C12H16ClN3O5S2 and a molecular weight of 381.86 g/mol. Its IUPAC name is methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
PubChem CID9304423
Molecular FormulaC12H16ClN3O5S2
Molecular Weight381.86 g/mol
Exact Mass381.02
IUPAC Namemethyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClN3O5S2/c1-21-12(18)14-10(17)8-15-4-6-16(7-5-15)23(19,20)11-3-2-9(13)22-11/h2-3H,4-8H2,1H3,(H,14,17,18)
InChIKeyYVIRSRARTKKTSJ-UHFFFAOYSA-N
XLogP0.59
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9304405
N-(4-chlorophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 31378805
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 9304443
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
ethyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetyl]carbamate
CID 9304373
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824972
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 39745188
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
methyl 1-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]triazole-4-carboxylate
CID 55681263
N-(4-chlorophenyl)-3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 60501808
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 55365337

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The IUPAC name of methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate (CID 9304423) is methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate is COC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate?
The InChIKey is YVIRSRARTKKTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O5S2/c1-21-12(18)14-10(17)8-15-4-6-16(7-5-15)23(19,20)11-3-2-9(13)22-11/h2-3H,4-8H2,1H3,(H,14,17,18).
What are the key properties of methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate?
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate has a molecular weight of 381.86 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate is sourced from PubChem (CID 9304423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).