N-piperidin-4-yl-4-sulfanylbenzamide

C12H16N2OS — CID 107023949

IUPACN-piperidin-4-yl-4-sulfanylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(S)cc1
InChIInChI=1S/C12H16N2OS/c15-12(9-1-3-11(16)4-2-9)14-10-5-7-13-8-6-10/h1-4,10,13,16H,5-8H2,(H,14,15)
InChIKeyGZXIVMHVSHORFX-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.46
Rot. Bonds2

About N-piperidin-4-yl-4-sulfanylbenzamide

N-piperidin-4-yl-4-sulfanylbenzamide (PubChem CID 107023949) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-piperidin-4-yl-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-sulfanylbenzamide
PubChem CID107023949
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-piperidin-4-yl-4-sulfanylbenzamide
SMILESO=C(NC1CCNCC1)c1ccc(S)cc1
InChIInChI=1S/C12H16N2OS/c15-12(9-1-3-11(16)4-2-9)14-10-5-7-13-8-6-10/h1-4,10,13,16H,5-8H2,(H,14,15)
InChIKeyGZXIVMHVSHORFX-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-piperidin-4-yl-4-sulfanylbenzamide 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-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
N-piperidin-4-yl-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 162554246

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-sulfanylbenzamide?
The IUPAC name of N-piperidin-4-yl-4-sulfanylbenzamide (CID 107023949) is N-piperidin-4-yl-4-sulfanylbenzamide.
What is the SMILES notation for N-piperidin-4-yl-4-sulfanylbenzamide?
The canonical SMILES for N-piperidin-4-yl-4-sulfanylbenzamide is O=C(NC1CCNCC1)c1ccc(S)cc1.
What is the InChIKey of N-piperidin-4-yl-4-sulfanylbenzamide?
The InChIKey is GZXIVMHVSHORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-12(9-1-3-11(16)4-2-9)14-10-5-7-13-8-6-10/h1-4,10,13,16H,5-8H2,(H,14,15).
What are the key properties of N-piperidin-4-yl-4-sulfanylbenzamide?
N-piperidin-4-yl-4-sulfanylbenzamide has a molecular weight of 236.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-sulfanylbenzamide is sourced from PubChem (CID 107023949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).