1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C12H18ClN3O3S2 — CID 107162654

IUPAC1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1cc(S(=O)(=O)N2CCC(C)(/C(N)=N/O)CC2)sc1Cl
InChIInChI=1S/C12H18ClN3O3S2/c1-8-7-9(20-10(8)13)21(18,19)16-5-3-12(2,4-6-16)11(14)15-17/h7,17H,3-6H2,1-2H3,(H2,14,15)
InChIKeyNENIXFKCUZVAPI-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.25
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162654) has the molecular formula C12H18ClN3O3S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162654
Molecular FormulaC12H18ClN3O3S2
Molecular Weight351.88 g/mol
Exact Mass351.05
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCc1cc(S(=O)(=O)N2CCC(C)(/C(N)=N/O)CC2)sc1Cl
InChIInChI=1S/C12H18ClN3O3S2/c1-8-7-9(20-10(8)13)21(18,19)16-5-3-12(2,4-6-16)11(14)15-17/h7,17H,3-6H2,1-2H3,(H2,14,15)
InChIKeyNENIXFKCUZVAPI-UHFFFAOYSA-N
XLogP2.25
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.25
H-Bond Donors ≤ 52
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'}

Analyze 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 103099706
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
ethyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 103100561
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162680
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 103100214
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine
CID 103100544
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
1-(2-chloroethyl)-4-(5-chloro-4-methylthiophen-2-yl)sulfonyl-1,4-diazepane
CID 103100697
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-propylazetidin-3-ol
CID 103100234

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162654) is 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is Cc1cc(S(=O)(=O)N2CCC(C)(/C(N)=N/O)CC2)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is NENIXFKCUZVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2/c1-8-7-9(20-10(8)13)21(18,19)16-5-3-12(2,4-6-16)11(14)15-17/h7,17H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 351.88 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).