2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide

C10H21N3O3S — CID 54947895

IUPAC2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13-17(15,16)7-9-5-3-2-4-6-9/h8-9,13-14H,2-7H2,1H3,(H2,11,12)
InChIKeyRFKBJTJEONAXLK-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.62
Rot. Bonds5

About 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide

2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide (PubChem CID 54947895) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
PubChem CID54947895
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13-17(15,16)7-9-5-3-2-4-6-9/h8-9,13-14H,2-7H2,1H3,(H2,11,12)
InChIKeyRFKBJTJEONAXLK-UHFFFAOYSA-N
XLogP0.62
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.62
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide (CID 54947895) is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide is CC(NS(=O)(=O)CC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide?
The InChIKey is RFKBJTJEONAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13-17(15,16)7-9-5-3-2-4-6-9/h8-9,13-14H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide?
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 54947895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).