2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide

C10H19N3S — CID 65492508

IUPAC2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCSCC2)CC1
InChIInChI=1S/C10H19N3S/c11-9(12)7-10(1-2-10)8-13-3-5-14-6-4-13/h1-8H2,(H3,11,12)
InChIKeyOGRCEVJTBGPFDH-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide

2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide (PubChem CID 65492508) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide
PubChem CID65492508
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCSCC2)CC1
InChIInChI=1S/C10H19N3S/c11-9(12)7-10(1-2-10)8-13-3-5-14-6-4-13/h1-8H2,(H3,11,12)
InChIKeyOGRCEVJTBGPFDH-UHFFFAOYSA-N
XLogP1.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide (CID 65492508) is 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCSCC2)CC1.
What is the InChIKey of 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide?
The InChIKey is OGRCEVJTBGPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c11-9(12)7-10(1-2-10)8-13-3-5-14-6-4-13/h1-8H2,(H3,11,12).
What are the key properties of 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide?
2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide has a molecular weight of 213.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiomorpholin-4-ylmethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).