N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide

C11H26N4O3S — CID 106339646

IUPACN'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C11H26N4O3S/c1-11(2,10(12)15-16)6-4-7-13-8-5-9-14-19(3,17)18/h13-14,16H,4-9H2,1-3H3,(H2,12,15)
InChIKeyXAFJRRVPSZNOGJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.07
Rot. Bonds10

About N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide (PubChem CID 106339646) has the molecular formula C11H26N4O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
PubChem CID106339646
Molecular FormulaC11H26N4O3S
Molecular Weight294.42 g/mol
Exact Mass294.17
IUPAC NameN'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C11H26N4O3S/c1-11(2,10(12)15-16)6-4-7-13-8-5-9-14-19(3,17)18/h13-14,16H,4-9H2,1-3H3,(H2,12,15)
InChIKeyXAFJRRVPSZNOGJ-UHFFFAOYSA-N
XLogP0.07
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.07
H-Bond Donors ≤ 54
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-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-[3-(dimethylamino)propylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063885
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
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 N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide (CID 106339646) is N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide is CC(C)(CCCNCCCNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide?
The InChIKey is XAFJRRVPSZNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O3S/c1-11(2,10(12)15-16)6-4-7-13-8-5-9-14-19(3,17)18/h13-14,16H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide has a molecular weight of 294.42 g/mol, XLogP of 0.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[3-(methanesulfonamido)propylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106339646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).