2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide

C12H24N4O3S — CID 77044834

IUPAC2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)N1CCCCC1)=NO
InChIInChI=1S/C12H24N4O3S/c13-12(14-17)10-16(11-6-2-3-7-11)20(18,19)15-8-4-1-5-9-15/h11,17H,1-10H2,(H2,13,14)
InChIKeyBRYHQGSCHABFFW-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.71
Rot. Bonds5

About 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77044834) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID77044834
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)N1CCCCC1)=NO
InChIInChI=1S/C12H24N4O3S/c13-12(14-17)10-16(11-6-2-3-7-11)20(18,19)15-8-4-1-5-9-15/h11,17H,1-10H2,(H2,13,14)
InChIKeyBRYHQGSCHABFFW-UHFFFAOYSA-N
XLogP0.71
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
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 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 77044834) is 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)S(=O)(=O)N1CCCCC1)=NO.
What is the InChIKey of 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is BRYHQGSCHABFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c13-12(14-17)10-16(11-6-2-3-7-11)20(18,19)15-8-4-1-5-9-15/h11,17H,1-10H2,(H2,13,14).
What are the key properties of 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 304.42 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).