5-(3-hydroxypropylsulfanyl)pentanimidamide

C8H18N2OS — CID 66113429

IUPAC5-(3-hydroxypropylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSCCCO
InChIInChI=1S/C8H18N2OS/c9-8(10)4-1-2-6-12-7-3-5-11/h11H,1-7H2,(H3,9,10)
InChIKeyHSFDSYNXTXTKJA-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.21
Rot. Bonds8

About 5-(3-hydroxypropylsulfanyl)pentanimidamide

5-(3-hydroxypropylsulfanyl)pentanimidamide (PubChem CID 66113429) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 5-(3-hydroxypropylsulfanyl)pentanimidamide.

Molecular Properties

Compound Name5-(3-hydroxypropylsulfanyl)pentanimidamide
PubChem CID66113429
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name5-(3-hydroxypropylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSCCCO
InChIInChI=1S/C8H18N2OS/c9-8(10)4-1-2-6-12-7-3-5-11/h11H,1-7H2,(H3,9,10)
InChIKeyHSFDSYNXTXTKJA-UHFFFAOYSA-N
XLogP1.21
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(3-hydroxypropylsulfanyl)pentanimidamide?
The IUPAC name of 5-(3-hydroxypropylsulfanyl)pentanimidamide (CID 66113429) is 5-(3-hydroxypropylsulfanyl)pentanimidamide.
What is the SMILES notation for 5-(3-hydroxypropylsulfanyl)pentanimidamide?
The canonical SMILES for 5-(3-hydroxypropylsulfanyl)pentanimidamide is [H]/N=C(\N)CCCCSCCCO.
What is the InChIKey of 5-(3-hydroxypropylsulfanyl)pentanimidamide?
The InChIKey is HSFDSYNXTXTKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c9-8(10)4-1-2-6-12-7-3-5-11/h11H,1-7H2,(H3,9,10).
What are the key properties of 5-(3-hydroxypropylsulfanyl)pentanimidamide?
5-(3-hydroxypropylsulfanyl)pentanimidamide has a molecular weight of 190.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylsulfanyl)pentanimidamide is sourced from PubChem (CID 66113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).