4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

C16H25ClN2OS — CID 120915956

IUPAC4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCSc1ccc(NC2CCCC2C2COCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-13-7-5-12(6-8-13)18-15-4-2-3-14(15)16-11-19-10-9-17-16;/h5-8,14-18H,2-4,9-11H2,1H3;1H
InChIKeyHMJGXUQFBPEXGL-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.40
Rot. Bonds4

About 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (PubChem CID 120915956) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
PubChem CID120915956
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCSc1ccc(NC2CCCC2C2COCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-20-13-7-5-12(6-8-13)18-15-4-2-3-14(15)16-11-19-10-9-17-16;/h5-8,14-18H,2-4,9-11H2,1H3;1H
InChIKeyHMJGXUQFBPEXGL-UHFFFAOYSA-N
XLogP3.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916262
3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916354
3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916330
2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
CID 120916052
2-morpholin-4-yl-N-[4-[(2-morpholin-3-ylcyclopentyl)amino]phenyl]acetamide
CID 120916333
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The IUPAC name of 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (CID 120915956) is 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.
What is the SMILES notation for 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The canonical SMILES for 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is CSc1ccc(NC2CCCC2C2COCCN2)cc1.Cl.
What is the InChIKey of 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The InChIKey is HMJGXUQFBPEXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-20-13-7-5-12(6-8-13)18-15-4-2-3-14(15)16-11-19-10-9-17-16;/h5-8,14-18H,2-4,9-11H2,1H3;1H.
What are the key properties of 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is sourced from PubChem (CID 120915956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).