2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane

C7H14N2S2 — CID 169000386

IUPAC2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
SMILESSN1CCC2(CC1)CN(S)C2
InChIInChI=1S/C7H14N2S2/c10-8-3-1-7(2-4-8)5-9(11)6-7/h10-11H,1-6H2
InChIKeyCMHNNIUKGLUSEF-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.07
Rot. Bonds

About 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane

2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 169000386) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
PubChem CID169000386
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
SMILESSN1CCC2(CC1)CN(S)C2
InChIInChI=1S/C7H14N2S2/c10-8-3-1-7(2-4-8)5-9(11)6-7/h10-11H,1-6H2
InChIKeyCMHNNIUKGLUSEF-UHFFFAOYSA-N
XLogP1.07
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
CID 171817185
2-sulfanyl-2,8-diazaspiro[4.5]decane
CID 123386358
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671
3,3-dimethyl-1-sulfanylpyrrolidine
CID 143872157
N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 134510563
2-sulfanyl-2,7-diazaspiro[3.4]octane
CID 146741021
3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane
CID 91099595
7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
CID 167251119
4,4-difluoro-1-sulfanylazepane
CID 143170881
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
(4aS,8aS)-4a,8a-dimethyl-2-sulfanyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 142337413
2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);2,7-dimethyl-2,7-diazaspiro[3.5]nonane;2,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 161419496

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane (CID 169000386) is 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane is SN1CCC2(CC1)CN(S)C2.
What is the InChIKey of 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is CMHNNIUKGLUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c10-8-3-1-7(2-4-8)5-9(11)6-7/h10-11H,1-6H2.
What are the key properties of 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane?
2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 190.34 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 169000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).