2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide

C9H21N5O3S — CID 63626978

IUPAC2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H21N5O3S/c1-13(2)18(16,17)12-8-3-5-14(6-4-8)7-9(10)11-15/h8,12,15H,3-7H2,1-2H3,(H2,10,11)
InChIKeyVZWXOTKMDFWOOB-UHFFFAOYSA-N
MW279.37 g/mol
LogP-1.41
Rot. Bonds5

About 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide

2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 63626978) has the molecular formula C9H21N5O3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID63626978
Molecular FormulaC9H21N5O3S
Molecular Weight279.37 g/mol
Exact Mass279.14
IUPAC Name2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCN(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H21N5O3S/c1-13(2)18(16,17)12-8-3-5-14(6-4-8)7-9(10)11-15/h8,12,15H,3-7H2,1-2H3,(H2,10,11)
InChIKeyVZWXOTKMDFWOOB-UHFFFAOYSA-N
XLogP-1.41
TPSA111.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide (CID 63626978) is 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is CN(C)S(=O)(=O)NC1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is VZWXOTKMDFWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O3S/c1-13(2)18(16,17)12-8-3-5-14(6-4-8)7-9(10)11-15/h8,12,15H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 279.37 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 63626978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).