N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide

C13H21N3O3S2 — CID 124625985

IUPACN-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)s1
InChIInChI=1S/C13H21N3O3S2/c1-10-9-14-7-8-16(10)21(18,19)13-4-3-12(20-13)5-6-15-11(2)17/h3-4,10,14H,5-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyRIOWQTQZFOJXGF-JTQLQIEISA-N
MW331.46 g/mol
LogP0.41
Rot. Bonds5

About N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide

N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide (PubChem CID 124625985) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
PubChem CID124625985
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)s1
InChIInChI=1S/C13H21N3O3S2/c1-10-9-14-7-8-16(10)21(18,19)13-4-3-12(20-13)5-6-15-11(2)17/h3-4,10,14H,5-9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyRIOWQTQZFOJXGF-JTQLQIEISA-N
XLogP0.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
CID 120764100
(2R,3R)-1-[5-(2-acetamidoethyl)thiophen-2-yl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105300
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-[2-[5-[2-[(2-methylphenyl)methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 166207254
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[2-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)thiophen-2-yl]ethyl]acetamide
CID 60561135
N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide (CID 124625985) is N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)s1.
What is the InChIKey of N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
The InChIKey is RIOWQTQZFOJXGF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-10-9-14-7-8-16(10)21(18,19)13-4-3-12(20-13)5-6-15-11(2)17/h3-4,10,14H,5-9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide?
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 124625985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).