3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

C12H25N3O3S — CID 54996916

IUPAC3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(2)15(9-8-12(13)14-16)19(17,18)11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyJQEIIRMDWABMCH-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.50
Rot. Bonds6

About 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 54996916) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID54996916
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(2)15(9-8-12(13)14-16)19(17,18)11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyJQEIIRMDWABMCH-UHFFFAOYSA-N
XLogP1.50
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.50
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

3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 105361578
N-(3-hydroxypropyl)-N-propan-2-ylcyclohexanesulfonamide
CID 61066384
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996337
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
N'-hydroxy-3-[2-methylpropyl(methylsulfonyl)amino]propanimidamide
CID 76917335
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
N'-hydroxy-3-[(4-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 76911536

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (CID 54996916) is 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is CC(C)N(CC/C(N)=N/O)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is JQEIIRMDWABMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(2)15(9-8-12(13)14-16)19(17,18)11-6-4-3-5-7-11/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54996916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).