N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C15H25NO2S — CID 60733709

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESO=S1(=O)CCC(CNC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)5-4-10(9-19)8-16-15-7-11-6-14(15)13-3-1-2-12(11)13/h10-16H,1-9H2
InChIKeyYVSPQNOBEBHFKM-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.84
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 60733709) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID60733709
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESO=S1(=O)CCC(CNC2CC3CC2C2CCCC32)C1
InChIInChI=1S/C15H25NO2S/c17-19(18)5-4-10(9-19)8-16-15-7-11-6-14(15)13-3-1-2-12(11)13/h10-16H,1-9H2
InChIKeyYVSPQNOBEBHFKM-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 60733709) is N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is O=S1(=O)CCC(CNC2CC3CC2C2CCCC32)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is YVSPQNOBEBHFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c17-19(18)5-4-10(9-19)8-16-15-7-11-6-14(15)13-3-1-2-12(11)13/h10-16H,1-9H2.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 283.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 60733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).