1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine

C9H15NO2S — CID 151789723

IUPAC1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCC(C)S(=O)(=O)C1(N)C=CC=CC1
InChIInChI=1S/C9H15NO2S/c1-8(2)13(11,12)9(10)6-4-3-5-7-9/h3-6,8H,7,10H2,1-2H3
InChIKeyRWJGDRXRPOKYIC-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.98
Rot. Bonds2

About 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine

1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine (PubChem CID 151789723) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine
PubChem CID151789723
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCC(C)S(=O)(=O)C1(N)C=CC=CC1
InChIInChI=1S/C9H15NO2S/c1-8(2)13(11,12)9(10)6-4-3-5-7-9/h3-6,8H,7,10H2,1-2H3
InChIKeyRWJGDRXRPOKYIC-UHFFFAOYSA-N
XLogP0.98
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Difluoromethylsulfonyl)cyclohexa-2,4-dien-1-amine
CID 174637645
1-(1-Aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine
CID 19809752
2-Propan-2-ylsulfonylcyclohexa-1,5-dien-1-amine
CID 68209701
4-Cyclopropylsulfonylcyclohexa-1,5-dien-1-amine
CID 89050854
4-Prop-2-enylsulfonylcyclohexa-1,3-dien-1-amine
CID 143475769
4-Propan-2-ylsulfonylcyclohexa-1,3-dien-1-amine
CID 146241232
1-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 150922215
1-Pentan-3-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152744439
1-Pentan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152744515
1-(2,2-Dimethylpropylsulfonyl)cyclohexa-3,5-diene-1,2-diamine
CID 152744699
1-Propan-2-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152749279
1-Propylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750237

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine (CID 151789723) is 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine is CC(C)S(=O)(=O)C1(N)C=CC=CC1.
What is the InChIKey of 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine?
The InChIKey is RWJGDRXRPOKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(2)13(11,12)9(10)6-4-3-5-7-9/h3-6,8H,7,10H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine?
1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine has a molecular weight of 201.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 151789723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).