N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

C14H22N2O2S2 — CID 60822628

IUPACN-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-12(2)15-11-13-3-5-14(6-4-13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMIVFGHKIVGLWKI-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.92
Rot. Bonds5

About N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (PubChem CID 60822628) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
PubChem CID60822628
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-12(2)15-11-13-3-5-14(6-4-13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3
InChIKeyMIVFGHKIVGLWKI-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]propan-2-amine
CID 114411261
N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
CID 43506983
N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
CID 43506982
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 102920286
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
N-[[4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 66382807
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
4-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61418861

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (CID 60822628) is N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The InChIKey is MIVFGHKIVGLWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-12(2)15-11-13-3-5-14(6-4-13)20(17,18)16-7-9-19-10-8-16/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine has a molecular weight of 314.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 60822628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).