N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide

C9H18N2S — CID 63962967

IUPACN'-(2-methylsulfanylethyl)cyclopentanecarboximidamide
SMILESCSCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2S/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyONSCIUVSHNHOFK-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.90
Rot. Bonds4

About N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide

N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide (PubChem CID 63962967) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methylsulfanylethyl)cyclopentanecarboximidamide
PubChem CID63962967
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN'-(2-methylsulfanylethyl)cyclopentanecarboximidamide
SMILESCSCC/N=C(\N)C1CCCC1
InChIInChI=1S/C9H18N2S/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyONSCIUVSHNHOFK-UHFFFAOYSA-N
XLogP1.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide (CID 63962967) is N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide is CSCC/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide?
The InChIKey is ONSCIUVSHNHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-12-7-6-11-9(10)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide?
N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide has a molecular weight of 186.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63962967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).