6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine

C10H17NO2S — CID 68757194

IUPAC6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine
SMILESCCCC1(S(C)(=O)=O)C=CC=CC1N
InChIInChI=1S/C10H17NO2S/c1-3-7-10(14(2,12)13)8-5-4-6-9(10)11/h4-6,8-9H,3,7,11H2,1-2H3
InChIKeyMWVPXVVQGHJGIK-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.02
Rot. Bonds3

About 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine

6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine (PubChem CID 68757194) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine
PubChem CID68757194
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine
SMILESCCCC1(S(C)(=O)=O)C=CC=CC1N
InChIInChI=1S/C10H17NO2S/c1-3-7-10(14(2,12)13)8-5-4-6-9(10)11/h4-6,8-9H,3,7,11H2,1-2H3
InChIKeyMWVPXVVQGHJGIK-UHFFFAOYSA-N
XLogP1.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine (CID 68757194) is 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine is CCCC1(S(C)(=O)=O)C=CC=CC1N.
What is the InChIKey of 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is MWVPXVVQGHJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-7-10(14(2,12)13)8-5-4-6-9(10)11/h4-6,8-9H,3,7,11H2,1-2H3.
What are the key properties of 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine?
6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 215.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68757194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).