5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine

C9H15N3O4S3 — CID 55154539

IUPAC5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C9H15N3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)9-6-8(10)7-17-9/h6-7H,2-5,10H2,1H3
InChIKeyZIHYNJTYTQDNQA-UHFFFAOYSA-N
MW325.44 g/mol
LogP-0.40
Rot. Bonds3

About 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine

5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine (PubChem CID 55154539) has the molecular formula C9H15N3O4S3 and a molecular weight of 325.44 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
PubChem CID55154539
Molecular FormulaC9H15N3O4S3
Molecular Weight325.44 g/mol
Exact Mass325.02
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C9H15N3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)9-6-8(10)7-17-9/h6-7H,2-5,10H2,1H3
InChIKeyZIHYNJTYTQDNQA-UHFFFAOYSA-N
XLogP-0.40
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine (CID 55154539) is 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine is CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is ZIHYNJTYTQDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S3/c1-18(13,14)11-2-4-12(5-3-11)19(15,16)9-6-8(10)7-17-9/h6-7H,2-5,10H2,1H3.
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine?
5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 325.44 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 55154539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).