ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine

C11H23NS — CID 143902098

IUPACethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine
SMILESCC.CC.CSC1=C(N)C=CCC1
InChIInChI=1S/C7H11NS.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2,4H,3,5,8H2,1H3;2*1-2H3
InChIKeyWKLYIQFVAOYQQA-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.92
Rot. Bonds1

About ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine

ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine (PubChem CID 143902098) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine
PubChem CID143902098
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Nameethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine
SMILESCC.CC.CSC1=C(N)C=CCC1
InChIInChI=1S/C7H11NS.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2,4H,3,5,8H2,1H3;2*1-2H3
InChIKeyWKLYIQFVAOYQQA-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Iodo-2-methylsulfanylcyclohepta-1,4,6-trien-1-amine
CID 135081601
4-Methyl-3-methylsulfanylcyclohexa-1,5-diene-1,3-diamine
CID 67882590
4-Methyl-2,3-bis(methylsulfanyl)cyclohexa-1,5-diene-1,3-diamine
CID 67882607
1-Methylsulfanylcyclohexa-3,5-diene-1,3-diamine
CID 70422302
8aH-thiochromen-4-amine
CID 88722526
(3Z)-4-prop-1-en-2-ylsulfanylhexa-1,3-dien-3-amine
CID 88944890
3-(Trimethyl-lambda4-sulfanyl)cyclohexa-1,3-dien-1-amine
CID 89191424
(3E,5Z)-1-prop-1-en-2-ylsulfanylocta-3,5,7-trien-3-amine
CID 89319078
(3E,5Z)-5-[2-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)ethyl]hepta-1,3,5-trien-3-amine
CID 89320796
2-Ethylsulfanylcyclohexa-1,5-dien-1-amine
CID 89418179
2-Propan-2-ylsulfanylcyclohexa-1,5-dien-1-amine
CID 89423582
5-Methylsulfanylcyclohexa-1,5-dien-1-amine
CID 117956757

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine (CID 143902098) is ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine is CC.CC.CSC1=C(N)C=CCC1.
What is the InChIKey of ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine?
The InChIKey is WKLYIQFVAOYQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.2C2H6/c1-9-7-5-3-2-4-6(7)8;2*1-2/h2,4H,3,5,8H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine?
ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143902098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).