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

C11H18N2O2S2 — CID 63623700

IUPAC5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
SMILESCC1CCCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-9-3-2-5-13(6-4-9)17(14,15)11-7-10(12)8-16-11/h7-9H,2-6,12H2,1H3
InChIKeyHUQGPYCHJKGDEO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.14
Rot. Bonds2

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

5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine (PubChem CID 63623700) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
PubChem CID63623700
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
SMILESCC1CCCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-9-3-2-5-13(6-4-9)17(14,15)11-7-10(12)8-16-11/h7-9H,2-6,12H2,1H3
InChIKeyHUQGPYCHJKGDEO-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine (CID 63623700) is 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine is CC1CCCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine?
The InChIKey is HUQGPYCHJKGDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-3-2-5-13(6-4-9)17(14,15)11-7-10(12)8-16-11/h7-9H,2-6,12H2,1H3.
What are the key properties of 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine?
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 63623700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).