N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide

C8H15N3S — CID 143163208

IUPACN'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide
SMILESCSC1=C(/N=C/N)CCC(N)C1
InChIInChI=1S/C8H15N3S/c1-12-8-4-6(10)2-3-7(8)11-5-9/h5-6H,2-4,10H2,1H3,(H2,9,11)
InChIKeyWXKRHSBZNFTDFW-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.06
Rot. Bonds2

About N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide

N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide (PubChem CID 143163208) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide.

Molecular Properties

Compound NameN'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide
PubChem CID143163208
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide
SMILESCSC1=C(/N=C/N)CCC(N)C1
InChIInChI=1S/C8H15N3S/c1-12-8-4-6(10)2-3-7(8)11-5-9/h5-6H,2-4,10H2,1H3,(H2,9,11)
InChIKeyWXKRHSBZNFTDFW-UHFFFAOYSA-N
XLogP1.06
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-methylsulfanyl-4-(propylamino)cyclohexen-1-yl]methanimidamide
CID 143163209
2-[2-(Methylideneamino)cyclohexen-1-yl]sulfanylethanamine
CID 155023002

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide?
The IUPAC name of N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide (CID 143163208) is N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide.
What is the SMILES notation for N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide?
The canonical SMILES for N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide is CSC1=C(/N=C/N)CCC(N)C1.
What is the InChIKey of N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide?
The InChIKey is WXKRHSBZNFTDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-12-8-4-6(10)2-3-7(8)11-5-9/h5-6H,2-4,10H2,1H3,(H2,9,11).
What are the key properties of N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide?
N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide has a molecular weight of 185.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-methylsulfanylcyclohexen-1-yl)methanimidamide is sourced from PubChem (CID 143163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).