5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

C12H27N3OS — CID 114248120

IUPAC5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCSCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3OS/c1-4-17-10-6-9-14-8-5-7-12(2,3)11(13)15-16/h14,16H,4-10H2,1-3H3,(H2,13,15)
InChIKeyGDVPJOMVWVFTLF-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.27
Rot. Bonds10

About 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 114248120) has the molecular formula C12H27N3OS and a molecular weight of 261.43 g/mol. Its IUPAC name is 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID114248120
Molecular FormulaC12H27N3OS
Molecular Weight261.43 g/mol
Exact Mass261.19
IUPAC Name5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCSCCCNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3OS/c1-4-17-10-6-9-14-8-5-7-12(2,3)11(13)15-16/h14,16H,4-10H2,1-3H3,(H2,13,15)
InChIKeyGDVPJOMVWVFTLF-UHFFFAOYSA-N
XLogP2.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
N'-hydroxy-2,2-dimethyl-5-(2-prop-2-enylsulfanylethylamino)pentanimidamide
CID 106429128
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
CID 106339646
5-(3-cyclopentylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106011988
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 114248120) is 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is CCSCCCNCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is GDVPJOMVWVFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3OS/c1-4-17-10-6-9-14-8-5-7-12(2,3)11(13)15-16/h14,16H,4-10H2,1-3H3,(H2,13,15).
What are the key properties of 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 261.43 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 114248120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).