2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide

C13H18N2OS — CID 76982857

IUPAC2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-13(15-16)12-8-4-1-5-10(12)9-17-11-6-2-3-7-11/h1,4-5,8,11,16H,2-3,6-7,9H2,(H2,14,15)
InChIKeyNRASEZQABMGTCT-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.96
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide

2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76982857) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID76982857
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CSC1CCCC1
InChIInChI=1S/C13H18N2OS/c14-13(15-16)12-8-4-1-5-10(12)9-17-11-6-2-3-7-11/h1,4-5,8,11,16H,2-3,6-7,9H2,(H2,14,15)
InChIKeyNRASEZQABMGTCT-UHFFFAOYSA-N
XLogP2.96
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide 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'-hydroxy-2-(oxetan-3-ylsulfanylmethyl)benzenecarboximidamide
CID 79326179
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
4-(cyclopentylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76982852
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43266553
3-(cyclopentylsulfanylmethyl)pyridin-2-amine
CID 63115867
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide (CID 76982857) is 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CSC1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is NRASEZQABMGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-13(15-16)12-8-4-1-5-10(12)9-17-11-6-2-3-7-11/h1,4-5,8,11,16H,2-3,6-7,9H2,(H2,14,15).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide?
2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 250.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).