N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide

C10H20N2O2S2 — CID 90616204

IUPACN,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
SMILESCSC1CC2CCC(C1)N2S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N2O2S2/c1-11(2)16(13,14)12-8-4-5-9(12)7-10(6-8)15-3/h8-10H,4-7H2,1-3H3
InChIKeyYRBGMCDOHROGKZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.15
Rot. Bonds3

About N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide

N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide (PubChem CID 90616204) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
PubChem CID90616204
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC NameN,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide
SMILESCSC1CC2CCC(C1)N2S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N2O2S2/c1-11(2)16(13,14)12-8-4-5-9(12)7-10(6-8)15-3/h8-10H,4-7H2,1-3H3
InChIKeyYRBGMCDOHROGKZ-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The IUPAC name of N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide (CID 90616204) is N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide is CSC1CC2CCC(C1)N2S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
The InChIKey is YRBGMCDOHROGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-11(2)16(13,14)12-8-4-5-9(12)7-10(6-8)15-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide?
N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide has a molecular weight of 264.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-sulfonamide is sourced from PubChem (CID 90616204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).