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

C14H22N2O3S2 — CID 102704762

IUPAC[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H22N2O3S2/c1-10-11(2)20-7-6-16(10)21(17,18)14-5-4-12(9-15)8-13(14)19-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyJBEUIBZUWASPKT-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.67
Rot. Bonds4

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

[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine (PubChem CID 102704762) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine
PubChem CID102704762
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H22N2O3S2/c1-10-11(2)20-7-6-16(10)21(17,18)14-5-4-12(9-15)8-13(14)19-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3
InChIKeyJBEUIBZUWASPKT-UHFFFAOYSA-N
XLogP1.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine (CID 102704762) is [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1S(=O)(=O)N1CCSC(C)C1C.
What is the InChIKey of [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine?
The InChIKey is JBEUIBZUWASPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-10-11(2)20-7-6-16(10)21(17,18)14-5-4-12(9-15)8-13(14)19-3/h4-5,8,10-11H,6-7,9,15H2,1-3H3.
What are the key properties of [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine?
[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine has a molecular weight of 330.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine is sourced from PubChem (CID 102704762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).