N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide

C14H21N3O2S — CID 107296444

IUPACN'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCNCC2CCSC2)cc1
InChIInChI=1S/C14H21N3O2S/c15-14(17-18)12-1-3-13(4-2-12)19-7-6-16-9-11-5-8-20-10-11/h1-4,11,16,18H,5-10H2,(H2,15,17)
InChIKeyMZMZINSNKWJAHZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.50
Rot. Bonds7

About N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide (PubChem CID 107296444) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide
PubChem CID107296444
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCNCC2CCSC2)cc1
InChIInChI=1S/C14H21N3O2S/c15-14(17-18)12-1-3-13(4-2-12)19-7-6-16-9-11-5-8-20-10-11/h1-4,11,16,18H,5-10H2,(H2,15,17)
InChIKeyMZMZINSNKWJAHZ-UHFFFAOYSA-N
XLogP1.50
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77125155
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004
4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025986
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-[(1-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77056371
N'-hydroxy-4-[2-[(2-methyl-3-methylsulfanylpropyl)amino]ethoxy]benzenecarboximidamide
CID 77027442
N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
CID 107296459
N'-hydroxy-4-[2-(pent-3-ynylamino)ethoxy]benzenecarboximidamide
CID 116644301

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide (CID 107296444) is N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(OCCNCC2CCSC2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide?
The InChIKey is MZMZINSNKWJAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-14(17-18)12-1-3-13(4-2-12)19-7-6-16-9-11-5-8-20-10-11/h1-4,11,16,18H,5-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide has a molecular weight of 295.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107296444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).