5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine

C10H17NO2S — CID 163949009

IUPAC5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)S(=O)(=O)CC1=CC=CC(N)C1
InChIInChI=1S/C10H17NO2S/c1-8(2)14(12,13)7-9-4-3-5-10(11)6-9/h3-5,8,10H,6-7,11H2,1-2H3
InChIKeyRXQOAYDIAXEPIA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.02
Rot. Bonds3

About 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine

5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 163949009) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine
PubChem CID163949009
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine
SMILESCC(C)S(=O)(=O)CC1=CC=CC(N)C1
InChIInChI=1S/C10H17NO2S/c1-8(2)14(12,13)7-9-4-3-5-10(11)6-9/h3-5,8,10H,6-7,11H2,1-2H3
InChIKeyRXQOAYDIAXEPIA-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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Related Compounds

1-(4-Cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
CID 129313618
4-Fluoro-6-methylsulfonylcyclohexa-2,4-dien-1-amine
CID 176707607
(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
CID 143418320
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
3-[(2Z,4E)-5-aminohexa-2,4-dienyl]sulfonylcyclohexa-2,4-dien-1-amine
CID 59901878
1-Ethyl-4-methylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 67248108
(4-Methylsulfonylcyclohexa-1,5-dien-1-yl)methanamine
CID 67989460
4-Butyl-6,6-bis(1-ethylsulfonylethenyl)cyclohexa-2,4-dien-1-amine
CID 68129994
6,6-Bis(1-ethylsulfonylethenyl)-4-methylcyclohexa-2,4-dien-1-amine
CID 68130460
6-Methylsulfonyl-6-propylcyclohexa-2,4-dien-1-amine
CID 68757194
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine (CID 163949009) is 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine is CC(C)S(=O)(=O)CC1=CC=CC(N)C1.
What is the InChIKey of 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is RXQOAYDIAXEPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-8(2)14(12,13)7-9-4-3-5-10(11)6-9/h3-5,8,10H,6-7,11H2,1-2H3.
What are the key properties of 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine?
5-(propan-2-ylsulfonylmethyl)cyclohexa-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 5-(propan-2-ylsulfonylmethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163949009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).