2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

C9H19N3O3S — CID 77052461

IUPAC2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H19N3O3S/c1-2-5-12(6-9(10)11-13)16(14,15)7-8-3-4-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyOCRGHYQNQITMSR-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.18
Rot. Bonds7

About 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77052461) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID77052461
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CC1CC1
InChIInChI=1S/C9H19N3O3S/c1-2-5-12(6-9(10)11-13)16(14,15)7-8-3-4-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyOCRGHYQNQITMSR-UHFFFAOYSA-N
XLogP0.18
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
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

2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 112747021
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76988819
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
2-[cyclopropylmethylsulfonyl(ethyl)amino]ethanethioamide
CID 64987502
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
3-[cyclopropylmethylsulfonyl(ethyl)amino]propanimidamide
CID 64989198
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
2-[oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
N-(2-bromoethyl)-N-butyl-1-cyclopropylmethanesulfonamide
CID 80669821

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (CID 77052461) is 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is OCRGHYQNQITMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-2-5-12(6-9(10)11-13)16(14,15)7-8-3-4-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 249.34 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).