N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine

C15H23ClN2OS — CID 3022021

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1ccc(SCCNCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23ClN2OS/c16-14-2-4-15(5-3-14)20-13-7-17-6-1-8-18-9-11-19-12-10-18/h2-5,17H,1,6-13H2
InChIKeyFWDTYPVGGSPWSH-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.74
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine

N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 3022021) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID3022021
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1ccc(SCCNCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23ClN2OS/c16-14-2-4-15(5-3-14)20-13-7-17-6-1-8-18-9-11-19-12-10-18/h2-5,17H,1,6-13H2
InChIKeyFWDTYPVGGSPWSH-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033008
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111372109
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972667
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
N'-[2-(4-chlorophenyl)sulfanylethyl]ethane-1,2-diamine
CID 2299864
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
N-[2-(4-chlorophenyl)sulfanylethyl]hexan-1-amine
CID 60661954
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
1-[4-(4-chlorophenyl)sulfanylbutyl]-4-methylpiperazine
CID 2299558

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine (CID 3022021) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine is Clc1ccc(SCCNCCCN2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is FWDTYPVGGSPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c16-14-2-4-15(5-3-14)20-13-7-17-6-1-8-18-9-11-19-12-10-18/h2-5,17H,1,6-13H2.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 314.88 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).