N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine

C15H24N2O2S2 — CID 43506982

IUPACN-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-3-8-16-13(2)14-4-6-15(7-5-14)21(18,19)17-9-11-20-12-10-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyPSGGQLFSRKSBQT-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.48
Rot. Bonds6

About N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine

N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine (PubChem CID 43506982) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
PubChem CID43506982
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-3-8-16-13(2)14-4-6-15(7-5-14)21(18,19)17-9-11-20-12-10-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyPSGGQLFSRKSBQT-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-thiomorpholin-4-ylsulfonylphenyl)ethanamine
CID 43506983
N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60822628
4-(4-propan-2-ylphenyl)sulfonyl-1,4-thiazepane
CID 86992430
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
N-[1-(1-pyridin-3-ylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63854203
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
4-[1-(propylamino)ethyl]-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912868
N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591522
4-(4-propan-2-ylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811973
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine (CID 43506982) is N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccc(S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine?
The InChIKey is PSGGQLFSRKSBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-8-16-13(2)14-4-6-15(7-5-14)21(18,19)17-9-11-20-12-10-17/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine?
N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine has a molecular weight of 328.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43506982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).