imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride

C6H15ClN2OS — CID 155970976

IUPACimino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)C1CCNCC1
InChIInChI=1S/C6H14N2OS.ClH/c1-10(7,9)6-2-4-8-5-3-6;/h6-8H,2-5H2,1H3;1H
InChIKeyNUNHBCIGDXJBCQ-UHFFFAOYSA-N
MW198.72 g/mol
LogP0.84
Rot. Bonds1

About imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride

imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride (PubChem CID 155970976) has the molecular formula C6H15ClN2OS and a molecular weight of 198.72 g/mol. Its IUPAC name is imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Nameimino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride
PubChem CID155970976
Molecular FormulaC6H15ClN2OS
Molecular Weight198.72 g/mol
Exact Mass198.06
IUPAC Nameimino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)C1CCNCC1
InChIInChI=1S/C6H14N2OS.ClH/c1-10(7,9)6-2-4-8-5-3-6;/h6-8H,2-5H2,1H3;1H
InChIKeyNUNHBCIGDXJBCQ-UHFFFAOYSA-N
XLogP0.84
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride?
The IUPAC name of imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride (CID 155970976) is imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride.
What is the SMILES notation for imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride?
The canonical SMILES for imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride is Cl.[H]N=S(C)(=O)C1CCNCC1.
What is the InChIKey of imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride?
The InChIKey is NUNHBCIGDXJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS.ClH/c1-10(7,9)6-2-4-8-5-3-6;/h6-8H,2-5H2,1H3;1H.
What are the key properties of imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride?
imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride has a molecular weight of 198.72 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-oxo-piperidin-4-yl-λ6-sulfane;hydrochloride is sourced from PubChem (CID 155970976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).