4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine

C10H13NS — CID 89154019

IUPAC4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(C2=CCCS2)C=C1
InChIInChI=1S/C10H13NS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h2-3,5-6,8H,1,4,7,11H2
InChIKeyNLSBCGGFBYJKGR-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.43
Rot. Bonds1

About 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine

4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 89154019) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine
PubChem CID89154019
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(C2=CCCS2)C=C1
InChIInChI=1S/C10H13NS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h2-3,5-6,8H,1,4,7,11H2
InChIKeyNLSBCGGFBYJKGR-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine (CID 89154019) is 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine is NC1=CCC(C2=CCCS2)C=C1.
What is the InChIKey of 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is NLSBCGGFBYJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h2-3,5-6,8H,1,4,7,11H2.
What are the key properties of 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine?
4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrothiophen-5-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89154019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).