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

C14H21N3O3S — CID 77036767

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO
InChIInChI=1S/C14H21N3O3S/c15-14(17-18)6-1-2-9-16-21(19,20)13-8-7-11-4-3-5-12(11)10-13/h7-8,10,16,18H,1-6,9H2,(H2,15,17)
InChIKeyRLJHVHOZAHMYNE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.37
Rot. Bonds7

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

5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 77036767) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID77036767
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO
InChIInChI=1S/C14H21N3O3S/c15-14(17-18)6-1-2-9-16-21(19,20)13-8-7-11-4-3-5-12(11)10-13/h7-8,10,16,18H,1-6,9H2,(H2,15,17)
InChIKeyRLJHVHOZAHMYNE-UHFFFAOYSA-N
XLogP1.37
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 77036740
N-(4-azidobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106386990
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
N'-hydroxy-4-[(3-methylphenyl)sulfonylamino]butanimidamide
CID 76952883
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide (CID 77036767) is 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide is NC(CCCCNS(=O)(=O)c1ccc2c(c1)CCC2)=NO.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is RLJHVHOZAHMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-14(17-18)6-1-2-9-16-21(19,20)13-8-7-11-4-3-5-12(11)10-13/h7-8,10,16,18H,1-6,9H2,(H2,15,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide?
5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 311.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77036767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).