ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide

C11H21NOS — CID 170725421

IUPACethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide
SMILESCC.CC1=CC(S(=O)N(C)C)=CCC1
InChIInChI=1S/C9H15NOS.C2H6/c1-8-5-4-6-9(7-8)12(11)10(2)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyIDJRKMLQEODKMJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.86
Rot. Bonds2

About ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide

ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide (PubChem CID 170725421) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide.

Molecular Properties

Compound Nameethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide
PubChem CID170725421
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nameethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide
SMILESCC.CC1=CC(S(=O)N(C)C)=CCC1
InChIInChI=1S/C9H15NOS.C2H6/c1-8-5-4-6-9(7-8)12(11)10(2)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyIDJRKMLQEODKMJ-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclobutene-1-sulfinate
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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide?
The IUPAC name of ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide (CID 170725421) is ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide.
What is the SMILES notation for ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide?
The canonical SMILES for ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide is CC.CC1=CC(S(=O)N(C)C)=CCC1.
What is the InChIKey of ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide?
The InChIKey is IDJRKMLQEODKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS.C2H6/c1-8-5-4-6-9(7-8)12(11)10(2)3;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide?
ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,5-trimethylcyclohexa-1,5-diene-1-sulfinamide is sourced from PubChem (CID 170725421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).