[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine

C12H20N2O2S3 — CID 102755001

IUPAC[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H20N2O2S3/c1-9-7-17-10(6-13)11(9)19(15,16)14-4-5-18-12(2,3)8-14/h7H,4-6,8,13H2,1-3H3
InChIKeyMKIXGQVMYWRVGB-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.03
Rot. Bonds3

About [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine

[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine (PubChem CID 102755001) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
PubChem CID102755001
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C12H20N2O2S3/c1-9-7-17-10(6-13)11(9)19(15,16)14-4-5-18-12(2,3)8-14/h7H,4-6,8,13H2,1-3H3
InChIKeyMKIXGQVMYWRVGB-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine (CID 102755001) is [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine is Cc1csc(CN)c1S(=O)(=O)N1CCSC(C)(C)C1.
What is the InChIKey of [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The InChIKey is MKIXGQVMYWRVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-9-7-17-10(6-13)11(9)19(15,16)14-4-5-18-12(2,3)8-14/h7H,4-6,8,13H2,1-3H3.
What are the key properties of [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine has a molecular weight of 320.51 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 102755001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).