N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide

C12H24N4O3S — CID 76978346

IUPACN'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H24N4O3S/c1-9-5-2-3-8-16(9)20(18,19)15-11-7-4-6-10(11)12(13)14-17/h9-11,15,17H,2-8H2,1H3,(H2,13,14)
InChIKeyKBQKZOBMOKXXRM-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide

N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide (PubChem CID 76978346) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
PubChem CID76978346
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C12H24N4O3S/c1-9-5-2-3-8-16(9)20(18,19)15-11-7-4-6-10(11)12(13)14-17/h9-11,15,17H,2-8H2,1H3,(H2,13,14)
InChIKeyKBQKZOBMOKXXRM-UHFFFAOYSA-N
XLogP0.61
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.61
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 N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide (CID 76978346) is N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide is CC1CCCCN1S(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The InChIKey is KBQKZOBMOKXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-9-5-2-3-8-16(9)20(18,19)15-11-7-4-6-10(11)12(13)14-17/h9-11,15,17H,2-8H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide?
N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide has a molecular weight of 304.42 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboximidamide is sourced from PubChem (CID 76978346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).