N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

C14H23ClN2S2 — CID 106445375

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CSCCN1C
InChIInChI=1S/C14H23ClN2S2/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-18-8-7-17(13)2/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeySSYQAGHEMPMETL-UHFFFAOYSA-N
MW318.94 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (PubChem CID 106445375) has the molecular formula C14H23ClN2S2 and a molecular weight of 318.94 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
PubChem CID106445375
Molecular FormulaC14H23ClN2S2
Molecular Weight318.94 g/mol
Exact Mass318.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CSCCN1C
InChIInChI=1S/C14H23ClN2S2/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-18-8-7-17(13)2/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeySSYQAGHEMPMETL-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.94
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 115998333
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (CID 106445375) is N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)C1CSCCN1C.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The InChIKey is SSYQAGHEMPMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S2/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-18-8-7-17(13)2/h4-5,12-13,16H,3,6-10H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine has a molecular weight of 318.94 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106445375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).