2-cyclopentylsulfanyl-N,N-dimethylethanimidamide

C9H18N2S — CID 65140702

IUPAC2-cyclopentylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC1CCCC1)N(C)C
InChIInChI=1S/C9H18N2S/c1-11(2)9(10)7-12-8-5-3-4-6-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeyPXTTWCKTGPOCFT-KTKRTIGZSA-N
MW186.32 g/mol
LogP2.20
Rot. Bonds3

About 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide

2-cyclopentylsulfanyl-N,N-dimethylethanimidamide (PubChem CID 65140702) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N,N-dimethylethanimidamide
PubChem CID65140702
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-cyclopentylsulfanyl-N,N-dimethylethanimidamide
SMILES[H]/N=C(/CSC1CCCC1)N(C)C
InChIInChI=1S/C9H18N2S/c1-11(2)9(10)7-12-8-5-3-4-6-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeyPXTTWCKTGPOCFT-KTKRTIGZSA-N
XLogP2.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.20
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-dimethylethanimidamide?
The IUPAC name of 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide (CID 65140702) is 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide is [H]/N=C(/CSC1CCCC1)N(C)C.
What is the InChIKey of 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide?
The InChIKey is PXTTWCKTGPOCFT-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H18N2S/c1-11(2)9(10)7-12-8-5-3-4-6-8/h8,10H,3-7H2,1-2H3/b10-9-.
What are the key properties of 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide?
2-cyclopentylsulfanyl-N,N-dimethylethanimidamide has a molecular weight of 186.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N,N-dimethylethanimidamide is sourced from PubChem (CID 65140702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).