1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine

C15H25NO2S — CID 63924783

IUPAC1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
SMILESO=S1(=O)CCCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)6-2-3-11(9-19)16-15-8-10-7-14(15)13-5-1-4-12(10)13/h10-16H,1-9H2
InChIKeyQBNOXFCVLJYBND-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.98
Rot. Bonds2

About 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine

1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine (PubChem CID 63924783) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
PubChem CID63924783
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine
SMILESO=S1(=O)CCCC(NC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)6-2-3-11(9-19)16-15-8-10-7-14(15)13-5-1-4-12(10)13/h10-16H,1-9H2
InChIKeyQBNOXFCVLJYBND-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-adamantyl)-1,1-dioxothian-3-amine
CID 63921811
trans-(1R,2R)-2-[(1,1-dioxothian-3-yl)amino]cyclobutan-1-ol
CID 130610256
N-(3-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 103904074
1,1-dioxo-N-(2-piperidin-2-ylcyclohexyl)thian-3-amine
CID 79541542
N-(1,1-dioxothian-3-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63924083
2-[(1,1-dioxothian-3-yl)amino]cycloheptane-1-carbonitrile
CID 63923529
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothian-3-yl)oxan-3-amine
CID 63923831
N-(2-methylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392260
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
1,1-dioxo-N-(2-piperidin-2-ylcyclopentyl)thiolan-3-amine
CID 79545123
N-(2-imidazol-1-ylcyclopentyl)-1,1-dioxothian-3-amine
CID 63921817

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine?
The IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine (CID 63924783) is 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine?
The canonical SMILES for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine is O=S1(=O)CCCC(NC2CC3CC2C2CCCC32)C1.
What is the InChIKey of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine?
The InChIKey is QBNOXFCVLJYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-19(18)6-2-3-11(9-19)16-15-8-10-7-14(15)13-5-1-4-12(10)13/h10-16H,1-9H2.
What are the key properties of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine?
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine has a molecular weight of 283.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-3-amine is sourced from PubChem (CID 63924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).