6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride

C7H14ClNO2S — CID 134828352

IUPAC6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
SMILESCl.NC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C7H13NO2S.ClH/c8-6-5-7(6)1-3-11(9,10)4-2-7;/h6H,1-5,8H2;1H
InChIKeyAWOLFGZHUKFDSJ-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.33
Rot. Bonds

About 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride

6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 134828352) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound Name6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID134828352
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC Name6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
SMILESCl.NC1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C7H13NO2S.ClH/c8-6-5-7(6)1-3-11(9,10)4-2-7;/h6H,1-5,8H2;1H
InChIKeyAWOLFGZHUKFDSJ-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803
(2R)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
CID 176625279
(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
CID 167079487
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
CID 86276611
1-methyl-8,8-dioxo-8λ6-thia-1-azaspiro[4.5]decan-4-amine
CID 165464227
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
4-methyl-1,1-dioxothian-4-amine
CID 58641892
(5,5-dioxo-5λ6-thiaspiro[2.3]hexan-2-yl)methanamine
CID 84651273
6-(4-methylpiperazin-1-yl)spiro[2.5]octan-2-amine
CID 165476058
(2R)-N-[(2-ethylphenyl)methyl]-6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carboxamide
CID 124618216
1-(1,1-dioxothian-4-yl)-1-methylhydrazine
CID 145167794

Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride (CID 134828352) is 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride is Cl.NC1CC12CCS(=O)(=O)CC2.
What is the InChIKey of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is AWOLFGZHUKFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S.ClH/c8-6-5-7(6)1-3-11(9,10)4-2-7;/h6H,1-5,8H2;1H.
What are the key properties of 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride?
6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 211.71 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 134828352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).