3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine

C9H13NOS — CID 89191375

IUPAC3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine
SMILESNC1=CC(S(=O)C2CC2)=CCC1
InChIInChI=1S/C9H13NOS/c10-7-2-1-3-9(6-7)12(11)8-4-5-8/h3,6,8H,1-2,4-5,10H2
InChIKeyZRUCXJPOADYFFX-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.42
Rot. Bonds2

About 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine

3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine (PubChem CID 89191375) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine
PubChem CID89191375
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine
SMILESNC1=CC(S(=O)C2CC2)=CCC1
InChIInChI=1S/C9H13NOS/c10-7-2-1-3-9(6-7)12(11)8-4-5-8/h3,6,8H,1-2,4-5,10H2
InChIKeyZRUCXJPOADYFFX-UHFFFAOYSA-N
XLogP1.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine (CID 89191375) is 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine is NC1=CC(S(=O)C2CC2)=CCC1.
What is the InChIKey of 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine?
The InChIKey is ZRUCXJPOADYFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c10-7-2-1-3-9(6-7)12(11)8-4-5-8/h3,6,8H,1-2,4-5,10H2.
What are the key properties of 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine?
3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine has a molecular weight of 183.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylsulfinylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89191375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).