3-methylsulfanyl-azanidacycloheptane;rhodium

C7H14NRhS- — CID 163579676

IUPAC3-methylsulfanyl-azanidacycloheptane;rhodium
SMILESCSC1CCCC[N-]C1.[Rh]
InChIInChI=1S/C7H14NS.Rh/c1-9-7-4-2-3-5-8-6-7;/h7H,2-6H2,1H3;/q-1;
InChIKeyAKLKVGCABHYVDH-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.27
Rot. Bonds1

About 3-methylsulfanyl-azanidacycloheptane;rhodium

3-methylsulfanyl-azanidacycloheptane;rhodium (PubChem CID 163579676) has the molecular formula C7H14NRhS- and a molecular weight of 247.17 g/mol. Its IUPAC name is 3-methylsulfanyl-azanidacycloheptane;rhodium.

Molecular Properties

Compound Name3-methylsulfanyl-azanidacycloheptane;rhodium
PubChem CID163579676
Molecular FormulaC7H14NRhS-
Molecular Weight247.17 g/mol
Exact Mass246.99
IUPAC Name3-methylsulfanyl-azanidacycloheptane;rhodium
SMILESCSC1CCCC[N-]C1.[Rh]
InChIInChI=1S/C7H14NS.Rh/c1-9-7-4-2-3-5-8-6-7;/h7H,2-6H2,1H3;/q-1;
InChIKeyAKLKVGCABHYVDH-UHFFFAOYSA-N
XLogP2.27
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-azanidacycloheptane;rhodium?
The IUPAC name of 3-methylsulfanyl-azanidacycloheptane;rhodium (CID 163579676) is 3-methylsulfanyl-azanidacycloheptane;rhodium.
What is the SMILES notation for 3-methylsulfanyl-azanidacycloheptane;rhodium?
The canonical SMILES for 3-methylsulfanyl-azanidacycloheptane;rhodium is CSC1CCCC[N-]C1.[Rh].
What is the InChIKey of 3-methylsulfanyl-azanidacycloheptane;rhodium?
The InChIKey is AKLKVGCABHYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NS.Rh/c1-9-7-4-2-3-5-8-6-7;/h7H,2-6H2,1H3;/q-1;.
What are the key properties of 3-methylsulfanyl-azanidacycloheptane;rhodium?
3-methylsulfanyl-azanidacycloheptane;rhodium has a molecular weight of 247.17 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-azanidacycloheptane;rhodium is sourced from PubChem (CID 163579676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).