2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide

C12H25N3O3S — CID 61454516

IUPAC2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H25N3O3S/c1-2-6-11(12(13)14-16)15-19(17,18)9-10-7-4-3-5-8-10/h10-11,15-16H,2-9H2,1H3,(H2,13,14)
InChIKeyOZRFCTDZCDNKJN-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.40
Rot. Bonds7

About 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide

2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 61454516) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID61454516
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H25N3O3S/c1-2-6-11(12(13)14-16)15-19(17,18)9-10-7-4-3-5-8-10/h10-11,15-16H,2-9H2,1H3,(H2,13,14)
InChIKeyOZRFCTDZCDNKJN-UHFFFAOYSA-N
XLogP1.40
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.40
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'-hydroxypentanimidamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide (CID 61454516) is 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide is CCCC(NS(=O)(=O)CC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is OZRFCTDZCDNKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-2-6-11(12(13)14-16)15-19(17,18)9-10-7-4-3-5-8-10/h10-11,15-16H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide?
2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 291.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 61454516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).