1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine

C15H25NO2S — CID 43614945

IUPAC1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine
SMILESO=S1(=O)CCC(NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C15H25NO2S/c17-19(18)6-4-11(5-7-19)16-15-9-10-8-14(15)13-3-1-2-12(10)13/h10-16H,1-9H2
InChIKeyIPTFQXZQORMBQU-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.98
Rot. Bonds2

About 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine

1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine (PubChem CID 43614945) 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-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine
PubChem CID43614945
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine
SMILESO=S1(=O)CCC(NC2CC3CC2C2CCCC32)CC1
InChIInChI=1S/C15H25NO2S/c17-19(18)6-4-11(5-7-19)16-15-9-10-8-14(15)13-3-1-2-12(10)13/h10-16H,1-9H2
InChIKeyIPTFQXZQORMBQU-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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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine (CID 43614945) is 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine is O=S1(=O)CCC(NC2CC3CC2C2CCCC32)CC1.
What is the InChIKey of 1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-amine?
The InChIKey is IPTFQXZQORMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-19(18)6-4-11(5-7-19)16-15-9-10-8-14(15)13-3-1-2-12(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-4-amine?
1,1-dioxo-N-(8-tricyclo[5.2.1.02,6]decanyl)thian-4-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-4-amine is sourced from PubChem (CID 43614945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).