3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane

C10H18N2S2 — CID 91099595

IUPAC3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane
SMILESSN1CCC23CCCC2(C1)CN(S)C3
InChIInChI=1S/C10H18N2S2/c13-11-5-4-9-2-1-3-10(9,7-11)8-12(14)6-9/h13-14H,1-8H2
InChIKeyIGWVZWOBKOJNTJ-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.85
Rot. Bonds

About 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane

3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane (PubChem CID 91099595) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane.

Molecular Properties

Compound Name3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane
PubChem CID91099595
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane
SMILESSN1CCC23CCCC2(C1)CN(S)C3
InChIInChI=1S/C10H18N2S2/c13-11-5-4-9-2-1-3-10(9,7-11)8-12(14)6-9/h13-14H,1-8H2
InChIKeyIGWVZWOBKOJNTJ-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.85
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

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CID 143872157
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CID 142337413
2-sulfanyl-2,8-diazaspiro[4.5]decane
CID 123386358
(7aS)-1,3a,7a-trimethyl-6-sulfanyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine
CID 145242216
4,4-difluoro-1-sulfanylazepane
CID 143170881
ethane;7-methyl-2-sulfanyl-2,7-diazaspiro[3.5]nonane
CID 171817185
(5S)-9-sulfanyl-2,9-diazaspiro[4.5]decan-1-one
CID 166682645
3-methyl-1-sulfanylazetidin-3-ol
CID 163918862
1,3,3-trimethylazepane
CID 18711354
2-sulfanyl-2,7-diazaspiro[3.4]octane
CID 146741021
N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 134510563

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane?
The IUPAC name of 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane (CID 91099595) is 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane.
What is the SMILES notation for 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane?
The canonical SMILES for 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane is SN1CCC23CCCC2(C1)CN(S)C3.
What is the InChIKey of 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane?
The InChIKey is IGWVZWOBKOJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c13-11-5-4-9-2-1-3-10(9,7-11)8-12(14)6-9/h13-14H,1-8H2.
What are the key properties of 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane?
3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane has a molecular weight of 230.40 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(sulfanyl)-3,8-diazatricyclo[4.3.3.01,6]dodecane is sourced from PubChem (CID 91099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).