3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide

C12H17N3O3S — CID 76953193

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO
InChIInChI=1S/C12H17N3O3S/c13-12(15-16)6-7-14-19(17,18)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14,16H,1-3,6-7H2,(H2,13,15)
InChIKeyIXDXUKSLNDJUDD-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.59
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide

3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide (PubChem CID 76953193) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
PubChem CID76953193
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
SMILESNC(CCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO
InChIInChI=1S/C12H17N3O3S/c13-12(15-16)6-7-14-19(17,18)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14,16H,1-3,6-7H2,(H2,13,15)
InChIKeyIXDXUKSLNDJUDD-UHFFFAOYSA-N
XLogP0.59
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
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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Related Compounds

5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
CID 77036767
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-[1-(aminomethyl)cyclopentyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119567689
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide (CID 76953193) is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide is NC(CCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide?
The InChIKey is IXDXUKSLNDJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-12(15-16)6-7-14-19(17,18)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,14,16H,1-3,6-7H2,(H2,13,15).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide has a molecular weight of 283.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76953193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).