(5-benzylsulfonylthiophen-2-yl)methanamine

C12H13NO2S2 — CID 130344943

IUPAC(5-benzylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c13-8-11-6-7-12(16-11)17(14,15)9-10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyRQFDYTYGIXKANU-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.18
Rot. Bonds4

About (5-benzylsulfonylthiophen-2-yl)methanamine

(5-benzylsulfonylthiophen-2-yl)methanamine (PubChem CID 130344943) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is (5-benzylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-benzylsulfonylthiophen-2-yl)methanamine
PubChem CID130344943
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name(5-benzylsulfonylthiophen-2-yl)methanamine
SMILESNCc1ccc(S(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C12H13NO2S2/c13-8-11-6-7-12(16-11)17(14,15)9-10-4-2-1-3-5-10/h1-7H,8-9,13H2
InChIKeyRQFDYTYGIXKANU-UHFFFAOYSA-N
XLogP2.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-benzylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of (5-benzylsulfonylthiophen-2-yl)methanamine (CID 130344943) is (5-benzylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-benzylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for (5-benzylsulfonylthiophen-2-yl)methanamine is NCc1ccc(S(=O)(=O)Cc2ccccc2)s1.
What is the InChIKey of (5-benzylsulfonylthiophen-2-yl)methanamine?
The InChIKey is RQFDYTYGIXKANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c13-8-11-6-7-12(16-11)17(14,15)9-10-4-2-1-3-5-10/h1-7H,8-9,13H2.
What are the key properties of (5-benzylsulfonylthiophen-2-yl)methanamine?
(5-benzylsulfonylthiophen-2-yl)methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 130344943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).