N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide

C8H19N3OS — CID 77029537

IUPACN'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide
SMILESCSCCCNC(C)CC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(6-8(9)11-12)10-4-3-5-13-2/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyNZSVDRPBBXQDIE-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.85
Rot. Bonds7

About N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide

N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide (PubChem CID 77029537) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide
PubChem CID77029537
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC NameN'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide
SMILESCSCCCNC(C)CC(N)=NO
InChIInChI=1S/C8H19N3OS/c1-7(6-8(9)11-12)10-4-3-5-13-2/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyNZSVDRPBBXQDIE-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.85
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

N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
CID 106034042
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]ethylurea
CID 83121441
methyl 2-methyl-4-(3-methylsulfanylpropylamino)pentanoate
CID 104646397
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569
N'-hydroxy-3-(4-imidazol-1-ylbutylamino)butanimidamide
CID 77032766
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]butanimidamide
CID 106161775
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide (CID 77029537) is N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide is CSCCCNC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide?
The InChIKey is NZSVDRPBBXQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-7(6-8(9)11-12)10-4-3-5-13-2/h7,10,12H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide?
N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide has a molecular weight of 205.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide is sourced from PubChem (CID 77029537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).