cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine

C13H19NOS — CID 123714530

IUPACcyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C1C(S(=O)CC)=CC=CC1C(N)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-16(15)12-6-4-5-11(9(12)2)13(14)10-7-8-10/h4-6,10-11,13H,2-3,7-8,14H2,1H3
InChIKeyUCNAKSKTFOSGLD-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.12
Rot. Bonds4

About cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine

cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 123714530) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
PubChem CID123714530
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Namecyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C1C(S(=O)CC)=CC=CC1C(N)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-16(15)12-6-4-5-11(9(12)2)13(14)10-7-8-10/h4-6,10-11,13H,2-3,7-8,14H2,1H3
InChIKeyUCNAKSKTFOSGLD-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
CID 143418320
2-[Cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]sulfinylethanamine
CID 68342803
3-[6-Methyl-3-(2-propylpentylsulfonyl)cyclohexa-1,3-dien-1-yl]prop-2-en-1-amine
CID 90702076
3-[3-(2-Propylpentylsulfinyl)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 90785052
(Z,4Z)-4-ethylidene-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-1-phosphanyloct-5-en-2-amine
CID 129313471
5-Methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine
CID 130791837

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine (CID 123714530) is cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine is C=C1C(S(=O)CC)=CC=CC1C(N)C1CC1.
What is the InChIKey of cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is UCNAKSKTFOSGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-16(15)12-6-4-5-11(9(12)2)13(14)10-7-8-10/h4-6,10-11,13H,2-3,7-8,14H2,1H3.
What are the key properties of cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 123714530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).