2-cyclohexylsulfanyl-N,N-dimethylethanimidamide

C10H20N2S — CID 65143885

IUPAC2-cyclohexylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC1CCCCC1)N(C)C
InChIInChI=1S/C10H20N2S/c1-12(2)10(11)8-13-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyPLMGACDOJKLQQJ-KHPPLWFESA-N
MW200.35 g/mol
LogP2.59
Rot. Bonds3

About 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide

2-cyclohexylsulfanyl-N,N-dimethylethanimidamide (PubChem CID 65143885) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N,N-dimethylethanimidamide
PubChem CID65143885
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-cyclohexylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC1CCCCC1)N(C)C
InChIInChI=1S/C10H20N2S/c1-12(2)10(11)8-13-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/b11-10-
InChIKeyPLMGACDOJKLQQJ-KHPPLWFESA-N
XLogP2.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide?
The IUPAC name of 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide (CID 65143885) is 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide is [H]/N=C(/CSC1CCCCC1)N(C)C.
What is the InChIKey of 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide?
The InChIKey is PLMGACDOJKLQQJ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2S/c1-12(2)10(11)8-13-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3/b11-10-.
What are the key properties of 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide?
2-cyclohexylsulfanyl-N,N-dimethylethanimidamide has a molecular weight of 200.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 65143885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).