2-cyclopentylsulfanyl-N,N-diethylethanimidamide

C11H22N2S — CID 65140750

IUPAC2-cyclopentylsulfanyl-N,N-diethylethanimidamide
SMILES[H]/N=C(/CSC1CCCC1)N(CC)CC
InChIInChI=1S/C11H22N2S/c1-3-13(4-2)11(12)9-14-10-7-5-6-8-10/h10,12H,3-9H2,1-2H3/b12-11-
InChIKeyKSOXPHAJRSRZNW-QXMHVHEDSA-N
MW214.38 g/mol
LogP2.98
Rot. Bonds5

About 2-cyclopentylsulfanyl-N,N-diethylethanimidamide

2-cyclopentylsulfanyl-N,N-diethylethanimidamide (PubChem CID 65140750) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N,N-diethylethanimidamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N,N-diethylethanimidamide
PubChem CID65140750
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-cyclopentylsulfanyl-N,N-diethylethanimidamide
SMILES[H]/N=C(/CSC1CCCC1)N(CC)CC
InChIInChI=1S/C11H22N2S/c1-3-13(4-2)11(12)9-14-10-7-5-6-8-10/h10,12H,3-9H2,1-2H3/b12-11-
InChIKeyKSOXPHAJRSRZNW-QXMHVHEDSA-N
XLogP2.98
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.98
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-cyclopentylsulfanyl-N,N-diethylethanimidamide?
The IUPAC name of 2-cyclopentylsulfanyl-N,N-diethylethanimidamide (CID 65140750) is 2-cyclopentylsulfanyl-N,N-diethylethanimidamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N,N-diethylethanimidamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N,N-diethylethanimidamide is [H]/N=C(/CSC1CCCC1)N(CC)CC.
What is the InChIKey of 2-cyclopentylsulfanyl-N,N-diethylethanimidamide?
The InChIKey is KSOXPHAJRSRZNW-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-13(4-2)11(12)9-14-10-7-5-6-8-10/h10,12H,3-9H2,1-2H3/b12-11-.
What are the key properties of 2-cyclopentylsulfanyl-N,N-diethylethanimidamide?
2-cyclopentylsulfanyl-N,N-diethylethanimidamide has a molecular weight of 214.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N,N-diethylethanimidamide is sourced from PubChem (CID 65140750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).