N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide

C10H22N4O3S — CID 55202948

IUPACN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)18(16,17)14-6-4-13(5-7-14)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBSDMMKBWGFYUTA-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.52
Rot. Bonds4

About N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide (PubChem CID 55202948) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
PubChem CID55202948
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide
SMILESCC(/C(N)=N/O)N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C10H22N4O3S/c1-8(2)18(16,17)14-6-4-13(5-7-14)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyBSDMMKBWGFYUTA-UHFFFAOYSA-N
XLogP-0.52
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.52
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-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide (CID 55202948) is N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide is CC(/C(N)=N/O)N1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide?
The InChIKey is BSDMMKBWGFYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8(2)18(16,17)14-6-4-13(5-7-14)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide has a molecular weight of 278.38 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 55202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).