N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide

C10H21N5O3S — CID 55203301

IUPACN'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide
SMILESN/C(CN1CCN(S(=O)(=O)N2CCCC2)CC1)=N\O
InChIInChI=1S/C10H21N5O3S/c11-10(12-16)9-13-5-7-15(8-6-13)19(17,18)14-3-1-2-4-14/h16H,1-9H2,(H2,11,12)
InChIKeyIXPGKRRBSRMWFW-UHFFFAOYSA-N
MW291.38 g/mol
LogP-1.31
Rot. Bonds4

About N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide

N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide (PubChem CID 55203301) has the molecular formula C10H21N5O3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide
PubChem CID55203301
Molecular FormulaC10H21N5O3S
Molecular Weight291.38 g/mol
Exact Mass291.14
IUPAC NameN'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide
SMILESN/C(CN1CCN(S(=O)(=O)N2CCCC2)CC1)=N\O
InChIInChI=1S/C10H21N5O3S/c11-10(12-16)9-13-5-7-15(8-6-13)19(17,18)14-3-1-2-4-14/h16H,1-9H2,(H2,11,12)
InChIKeyIXPGKRRBSRMWFW-UHFFFAOYSA-N
XLogP-1.31
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 5-1.31
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-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide (CID 55203301) is N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide is N/C(CN1CCN(S(=O)(=O)N2CCCC2)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide?
The InChIKey is IXPGKRRBSRMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O3S/c11-10(12-16)9-13-5-7-15(8-6-13)19(17,18)14-3-1-2-4-14/h16H,1-9H2,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide has a molecular weight of 291.38 g/mol, XLogP of -1.31, 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-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 55203301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).