N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide

C15H22N2O3S2 — CID 69059184

IUPACN'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1ccc(C(=CC2CCCC2)CO)s1
InChIInChI=1S/C15H22N2O3S2/c1-17(2)11-16-22(19,20)15-8-7-14(21-15)13(10-18)9-12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3
InChIKeySDRRIANLGFLZBJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.59
Rot. Bonds6

About N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide

N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 69059184) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
PubChem CID69059184
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1ccc(C(=CC2CCCC2)CO)s1
InChIInChI=1S/C15H22N2O3S2/c1-17(2)11-16-22(19,20)15-8-7-14(21-15)13(10-18)9-12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3
InChIKeySDRRIANLGFLZBJ-UHFFFAOYSA-N
XLogP2.59
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide 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

N,N-dimethyl-N'-[5-(2-phenylethyl)thiophen-2-yl]sulfonylmethanimidamide
CID 87894923
3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
CID 67484994
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
N'-[5-[4,5-bis(3-chloropropoxy)-2-methylphenyl]thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide
CID 68659270
N'-[(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl]-N,N-dimethylmethanimidamide
CID 54423811
ethyl (E)-4-cyclopentyl-2-(5-methylsulfonylthiophen-2-yl)but-2-enoate
CID 67084578
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 119581611
ethyl 2-(5-bromothiophen-2-yl)-3-cyclohexylprop-2-enoate
CID 67484370
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67398996

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide (CID 69059184) is N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide is CN(C)C=NS(=O)(=O)c1ccc(C(=CC2CCCC2)CO)s1.
What is the InChIKey of N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is SDRRIANLGFLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-17(2)11-16-22(19,20)15-8-7-14(21-15)13(10-18)9-12-5-3-4-6-12/h7-9,11-12,18H,3-6,10H2,1-2H3.
What are the key properties of N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide?
N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 342.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(1-cyclopentyl-3-hydroxyprop-1-en-2-yl)thiophen-2-yl]sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 69059184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).