1,4-dithia-8-azaspiro[4.5]decane;hydrochloride

C7H14ClNS2 — CID 12954121

IUPAC1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
SMILESC1CC2(CCN1)SCCS2.Cl
InChIInChI=1S/C7H13NS2.ClH/c1-3-8-4-2-7(1)9-5-6-10-7;/h8H,1-6H2;1H
InChIKeyXZKMDAIKHRVNNC-UHFFFAOYSA-N
MW211.78 g/mol
LogP1.97
Rot. Bonds

About 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride

1,4-dithia-8-azaspiro[4.5]decane;hydrochloride (PubChem CID 12954121) has the molecular formula C7H14ClNS2 and a molecular weight of 211.78 g/mol. Its IUPAC name is 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
PubChem CID12954121
Molecular FormulaC7H14ClNS2
Molecular Weight211.78 g/mol
Exact Mass211.03
IUPAC Name1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
SMILESC1CC2(CCN1)SCCS2.Cl
InChIInChI=1S/C7H13NS2.ClH/c1-3-8-4-2-7(1)9-5-6-10-7;/h8H,1-6H2;1H
InChIKeyXZKMDAIKHRVNNC-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.78
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride?
The IUPAC name of 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride (CID 12954121) is 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride is C1CC2(CCN1)SCCS2.Cl.
What is the InChIKey of 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride?
The InChIKey is XZKMDAIKHRVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2.ClH/c1-3-8-4-2-7(1)9-5-6-10-7;/h8H,1-6H2;1H.
What are the key properties of 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride?
1,4-dithia-8-azaspiro[4.5]decane;hydrochloride has a molecular weight of 211.78 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithia-8-azaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 12954121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).