N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

C12H19N3O3S2 — CID 124696448

IUPACN-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)s1
InChIInChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)20(17,18)12-4-3-11(19-12)7-14-10(2)16/h3-4,9,13H,5-8H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyVJZSNWGFKXOOFY-VIFPVBQESA-N
MW317.44 g/mol
LogP0.37
Rot. Bonds4

About N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide

N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (PubChem CID 124696448) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
PubChem CID124696448
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)s1
InChIInChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)20(17,18)12-4-3-11(19-12)7-14-10(2)16/h3-4,9,13H,5-8H2,1-2H3,(H,14,16)/t9-/m0/s1
InChIKeyVJZSNWGFKXOOFY-VIFPVBQESA-N
XLogP0.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
CID 52522518
1-(3-methylpiperazin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119578248
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 120778263
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N',3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111145532
N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 60594688

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide (CID 124696448) is N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCN[C@@H](C)C2)s1.
What is the InChIKey of N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
The InChIKey is VJZSNWGFKXOOFY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9-8-15(6-5-13-9)20(17,18)12-4-3-11(19-12)7-14-10(2)16/h3-4,9,13H,5-8H2,1-2H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide?
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 124696448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).