N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide

C11H24N4O3S — CID 79611483

IUPACN'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-14(7-5-11(12)13-16)8-10-4-3-6-15(9-10)19(2,17)18/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyFDSSSLJJEAYOEN-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.27
Rot. Bonds6

About N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide

N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide (PubChem CID 79611483) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide
PubChem CID79611483
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide
SMILESCN(CCC(N)=NO)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N4O3S/c1-14(7-5-11(12)13-16)8-10-4-3-6-15(9-10)19(2,17)18/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyFDSSSLJJEAYOEN-UHFFFAOYSA-N
XLogP-0.27
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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 N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide (CID 79611483) is N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide is CN(CCC(N)=NO)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide?
The InChIKey is FDSSSLJJEAYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-14(7-5-11(12)13-16)8-10-4-3-6-15(9-10)19(2,17)18/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide?
N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide has a molecular weight of 292.41 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide is sourced from PubChem (CID 79611483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).