2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide

C8H16N2S — CID 65494849

IUPAC2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSCC)CC1
InChIInChI=1S/C8H16N2S/c1-2-11-6-8(3-4-8)5-7(9)10/h2-6H2,1H3,(H3,9,10)
InChIKeyBWZSSUIBYUGPAR-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.85
Rot. Bonds5

About 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide

2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide (PubChem CID 65494849) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide
PubChem CID65494849
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CSCC)CC1
InChIInChI=1S/C8H16N2S/c1-2-11-6-8(3-4-8)5-7(9)10/h2-6H2,1H3,(H3,9,10)
InChIKeyBWZSSUIBYUGPAR-UHFFFAOYSA-N
XLogP1.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
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-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide (CID 65494849) is 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CSCC)CC1.
What is the InChIKey of 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide?
The InChIKey is BWZSSUIBYUGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-11-6-8(3-4-8)5-7(9)10/h2-6H2,1H3,(H3,9,10).
What are the key properties of 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide?
2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide has a molecular weight of 172.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylsulfanylmethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).