(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine

C10H17N3O2S2 — CID 80505797

IUPAC(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
SMILESCN1CCN(S(=O)(=O)c2cccs2)C(CN)C1
InChIInChI=1S/C10H17N3O2S2/c1-12-4-5-13(9(7-11)8-12)17(14,15)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,11H2,1H3
InChIKeyDLQLFOKYNXDBEJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.01
Rot. Bonds3

About (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine

(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine (PubChem CID 80505797) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
PubChem CID80505797
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine
SMILESCN1CCN(S(=O)(=O)c2cccs2)C(CN)C1
InChIInChI=1S/C10H17N3O2S2/c1-12-4-5-13(9(7-11)8-12)17(14,15)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,11H2,1H3
InChIKeyDLQLFOKYNXDBEJ-UHFFFAOYSA-N
XLogP0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-1-(2-methylphenyl)sulfonylpiperazin-2-yl]methanamine
CID 80506021
[1-(3-bromophenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506000
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
CID 80506146
[1-(4-bromo-3-methylphenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506094
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[3-(aminomethyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone;hydrochloride
CID 119483565
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine?
The IUPAC name of (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine (CID 80505797) is (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine is CN1CCN(S(=O)(=O)c2cccs2)C(CN)C1.
What is the InChIKey of (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine?
The InChIKey is DLQLFOKYNXDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-12-4-5-13(9(7-11)8-12)17(14,15)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,11H2,1H3.
What are the key properties of (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine?
(4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-thiophen-2-ylsulfonylpiperazin-2-yl)methanamine is sourced from PubChem (CID 80505797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).