3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide

C10H20N4O3S — CID 54997647

IUPAC3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(C1CC1)S(=O)(=O)N1CCCC1)=N/O
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)5-8-14(9-3-4-9)18(16,17)13-6-1-2-7-13/h9,15H,1-8H2,(H2,11,12)
InChIKeyOBWNPAOQOVLHBW-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.07
Rot. Bonds6

About 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54997647) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
PubChem CID54997647
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC Name3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
SMILESN/C(CCN(C1CC1)S(=O)(=O)N1CCCC1)=N/O
InChIInChI=1S/C10H20N4O3S/c11-10(12-15)5-8-14(9-3-4-9)18(16,17)13-6-1-2-7-13/h9,15H,1-8H2,(H2,11,12)
InChIKeyOBWNPAOQOVLHBW-UHFFFAOYSA-N
XLogP-0.07
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.07
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 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide (CID 54997647) is 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide is N/C(CCN(C1CC1)S(=O)(=O)N1CCCC1)=N/O.
What is the InChIKey of 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is OBWNPAOQOVLHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c11-10(12-15)5-8-14(9-3-4-9)18(16,17)13-6-1-2-7-13/h9,15H,1-8H2,(H2,11,12).
What are the key properties of 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 276.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54997647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).