2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride

C14H27ClN2OS — CID 120915524

IUPAC2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride
SMILESC1CSC(CNC2CCCC2C2COCCN2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-4-12(14-10-17-7-6-15-14)13(5-1)16-9-11-3-2-8-18-11;/h11-16H,1-10H2;1H
InChIKeyYRGXWWGMIOMTOK-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.05
Rot. Bonds4

About 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride

2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride (PubChem CID 120915524) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride
PubChem CID120915524
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC Name2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride
SMILESC1CSC(CNC2CCCC2C2COCCN2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-4-12(14-10-17-7-6-15-14)13(5-1)16-9-11-3-2-8-18-11;/h11-16H,1-10H2;1H
InChIKeyYRGXWWGMIOMTOK-UHFFFAOYSA-N
XLogP2.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride (CID 120915524) is 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride is C1CSC(CNC2CCCC2C2COCCN2)C1.Cl.
What is the InChIKey of 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The InChIKey is YRGXWWGMIOMTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-4-12(14-10-17-7-6-15-14)13(5-1)16-9-11-3-2-8-18-11;/h11-16H,1-10H2;1H.
What are the key properties of 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120915524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).