2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine

C11H19N3O4S3 — CID 62992395

IUPAC2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CCN)s2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-20(15,16)13-6-8-14(9-7-13)21(17,18)11-3-2-10(19-11)4-5-12/h2-3H,4-9,12H2,1H3
InChIKeyRWOOHMJCALPPHV-UHFFFAOYSA-N
MW353.49 g/mol
LogP-0.48
Rot. Bonds5

About 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine

2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine (PubChem CID 62992395) has the molecular formula C11H19N3O4S3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
PubChem CID62992395
Molecular FormulaC11H19N3O4S3
Molecular Weight353.49 g/mol
Exact Mass353.05
IUPAC Name2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CCN)s2)CC1
InChIInChI=1S/C11H19N3O4S3/c1-20(15,16)13-6-8-14(9-7-13)21(17,18)11-3-2-10(19-11)4-5-12/h2-3H,4-9,12H2,1H3
InChIKeyRWOOHMJCALPPHV-UHFFFAOYSA-N
XLogP-0.48
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
2-[5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 54975361
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
CID 61443457
[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide
CID 119334239
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119334238

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine (CID 62992395) is 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CCN)s2)CC1.
What is the InChIKey of 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The InChIKey is RWOOHMJCALPPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S3/c1-20(15,16)13-6-8-14(9-7-13)21(17,18)11-3-2-10(19-11)4-5-12/h2-3H,4-9,12H2,1H3.
What are the key properties of 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine?
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine has a molecular weight of 353.49 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine is sourced from PubChem (CID 62992395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).