N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide

C10H22N4O3S — CID 77027356

IUPACN'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(7-10(11)13-15)12-9-3-5-14(6-4-9)18(2,16)17/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyYIEXEXNANRWXGM-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.47
Rot. Bonds5

About N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide

N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide (PubChem CID 77027356) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide
PubChem CID77027356
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide
SMILESCC(CC(N)=NO)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(7-10(11)13-15)12-9-3-5-14(6-4-9)18(2,16)17/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13)
InChIKeyYIEXEXNANRWXGM-UHFFFAOYSA-N
XLogP-0.47
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.47
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 N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide (CID 77027356) is N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide is CC(CC(N)=NO)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide?
The InChIKey is YIEXEXNANRWXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(7-10(11)13-15)12-9-3-5-14(6-4-9)18(2,16)17/h8-9,12,15H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide?
N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide has a molecular weight of 278.38 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]butanimidamide is sourced from PubChem (CID 77027356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).