(5-cyclohexylsulfonylthiophen-2-yl)methanamine

C11H17NO2S2 — CID 130345075

IUPAC(5-cyclohexylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C11H17NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyYYGAAHCOPUBUEB-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.31
Rot. Bonds3

About (5-cyclohexylsulfonylthiophen-2-yl)methanamine

(5-cyclohexylsulfonylthiophen-2-yl)methanamine (PubChem CID 130345075) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (5-cyclohexylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclohexylsulfonylthiophen-2-yl)methanamine
PubChem CID130345075
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name(5-cyclohexylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C11H17NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2
InChIKeyYYGAAHCOPUBUEB-UHFFFAOYSA-N
XLogP2.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of (5-cyclohexylsulfonylthiophen-2-yl)methanamine (CID 130345075) is (5-cyclohexylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-cyclohexylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for (5-cyclohexylsulfonylthiophen-2-yl)methanamine is NCc1ccc(S(=O)(=O)C2CCCCC2)s1.
What is the InChIKey of (5-cyclohexylsulfonylthiophen-2-yl)methanamine?
The InChIKey is YYGAAHCOPUBUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h6-7,10H,1-5,8,12H2.
What are the key properties of (5-cyclohexylsulfonylthiophen-2-yl)methanamine?
(5-cyclohexylsulfonylthiophen-2-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 130345075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).