N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide

C10H16N4O3S2 — CID 103415692

IUPACN'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
SMILESCc1ncc(S(=O)(=O)NC2CCCC2/C(N)=N/O)s1
InChIInChI=1S/C10H16N4O3S2/c1-6-12-5-9(18-6)19(16,17)14-8-4-2-3-7(8)10(11)13-15/h5,7-8,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyAIISJWWQYDHZPP-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.64
Rot. Bonds4

About N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide

N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide (PubChem CID 103415692) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
PubChem CID103415692
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC NameN'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide
SMILESCc1ncc(S(=O)(=O)NC2CCCC2/C(N)=N/O)s1
InChIInChI=1S/C10H16N4O3S2/c1-6-12-5-9(18-6)19(16,17)14-8-4-2-3-7(8)10(11)13-15/h5,7-8,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyAIISJWWQYDHZPP-UHFFFAOYSA-N
XLogP0.64
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-chloro-N-(2-methylcyclopentyl)-1,3-thiazole-5-sulfonamide
CID 63281786
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine
CID 103413650
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine
CID 103413652
N,3-diethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
CID 103413703
3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-N-propylpiperidin-4-amine
CID 103413706
3-ethyl-N-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
CID 103413709
3-Ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
CID 103413712
N-[2-(aminomethyl)cyclopentyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103415207
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415209
N-[2-(aminomethyl)cyclohexyl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103415212
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415214

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide (CID 103415692) is N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide is Cc1ncc(S(=O)(=O)NC2CCCC2/C(N)=N/O)s1.
What is the InChIKey of N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide?
The InChIKey is AIISJWWQYDHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-6-12-5-9(18-6)19(16,17)14-8-4-2-3-7(8)10(11)13-15/h5,7-8,14-15H,2-4H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide?
N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide has a molecular weight of 304.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentane-1-carboximidamide is sourced from PubChem (CID 103415692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).