N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide

C8H18N2O2S — CID 77112361

IUPACN'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide
SMILESCC(CCO)SC(C)CC(N)=NO
InChIInChI=1S/C8H18N2O2S/c1-6(3-4-11)13-7(2)5-8(9)10-12/h6-7,11-12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyBUJLEHUUHSCQCL-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.02
Rot. Bonds6

About N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide

N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide (PubChem CID 77112361) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide
PubChem CID77112361
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide
SMILESCC(CCO)SC(C)CC(N)=NO
InChIInChI=1S/C8H18N2O2S/c1-6(3-4-11)13-7(2)5-8(9)10-12/h6-7,11-12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyBUJLEHUUHSCQCL-UHFFFAOYSA-N
XLogP1.02
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-methylhexanimidamide
CID 76589131
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
3-(3-aminopentan-2-ylsulfanyl)butan-1-ol
CID 66138895
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
CID 77030452
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylbutanimidamide
CID 54944999
3-(4-tert-butylphenyl)sulfanyl-N'-hydroxybutanimidamide
CID 54945140
3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol
CID 114370636
N'-hydroxy-2-(2-methylpropylsulfanyl)ethanimidamide
CID 43113939
N'-hydroxy-3-[(4-hydroxy-2-methylbutan-2-yl)amino]butanimidamide
CID 104873435
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61218176

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide (CID 77112361) is N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide is CC(CCO)SC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide?
The InChIKey is BUJLEHUUHSCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(3-4-11)13-7(2)5-8(9)10-12/h6-7,11-12H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide?
N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide has a molecular weight of 206.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxybutan-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 77112361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).