2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

C12H19N3O3S2 — CID 76978334

IUPAC2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCC2C(N)=NO)s1
InChIInChI=1S/C12H19N3O3S2/c1-2-8-6-7-11(19-8)20(17,18)15-10-5-3-4-9(10)12(13)14-16/h6-7,9-10,15-16H,2-5H2,1H3,(H2,13,14)
InChIKeyQEBGKGZNLCJDPC-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.50
Rot. Bonds5

About 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76978334) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76978334
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCC2C(N)=NO)s1
InChIInChI=1S/C12H19N3O3S2/c1-2-8-6-7-11(19-8)20(17,18)15-10-5-3-4-9(10)12(13)14-16/h6-7,9-10,15-16H,2-5H2,1H3,(H2,13,14)
InChIKeyQEBGKGZNLCJDPC-UHFFFAOYSA-N
XLogP1.50
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
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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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
CID 103415692
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
2-(ethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978993
N'-hydroxy-2-(propylsulfonylamino)cyclopentane-1-carboximidamide
CID 76978990
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978995
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
CID 104985778
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (CID 76978334) is 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is CCc1ccc(S(=O)(=O)NC2CCCC2C(N)=NO)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is QEBGKGZNLCJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-2-8-6-7-11(19-8)20(17,18)15-10-5-3-4-9(10)12(13)14-16/h6-7,9-10,15-16H,2-5H2,1H3,(H2,13,14).
What are the key properties of 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 317.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76978334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).