2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide

C14H21N3OS — CID 114678809

IUPAC2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C14H21N3OS/c1-9-8-17(7-6-11(9)18)10-4-3-5-12(19-2)13(10)14(15)16/h3-5,9,11,18H,6-8H2,1-2H3,(H3,15,16)
InChIKeyKHTXULISTGCFCK-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.90
Rot. Bonds3

About 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide

2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide (PubChem CID 114678809) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
PubChem CID114678809
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(SC)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C14H21N3OS/c1-9-8-17(7-6-11(9)18)10-4-3-5-12(19-2)13(10)14(15)16/h3-5,9,11,18H,6-8H2,1-2H3,(H3,15,16)
InChIKeyKHTXULISTGCFCK-UHFFFAOYSA-N
XLogP1.90
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide 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

2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 106587102
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 113385847
2-(3,4-dihydroxypyrrolidin-1-yl)-6-ethylsulfanylbenzenecarboximidamide
CID 106669765
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102883781
2-ethylsulfanyl-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 114797865
N'-hydroxy-2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102958261
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide (CID 114678809) is 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(SC)cccc1N1CCC(O)C(C)C1.
What is the InChIKey of 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is KHTXULISTGCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-8-17(7-6-11(9)18)10-4-3-5-12(19-2)13(10)14(15)16/h3-5,9,11,18H,6-8H2,1-2H3,(H3,15,16).
What are the key properties of 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide?
2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 279.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 114678809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).