N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline

C17H23N3S3 — CID 163241638

IUPACN-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline
SMILESCN(C)Sc1ccc(SNc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C17H23N3S3/c1-19(2)23-17-11-10-16(21-17)22-18-14-8-4-5-9-15(14)20-12-6-3-7-13-20/h4-5,8-11,18H,3,6-7,12-13H2,1-2H3
InChIKeyPBCLABHEXNDYHD-UHFFFAOYSA-N
MW365.59 g/mol
LogP5.43
Rot. Bonds6

About N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline

N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline (PubChem CID 163241638) has the molecular formula C17H23N3S3 and a molecular weight of 365.59 g/mol. Its IUPAC name is N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline
PubChem CID163241638
Molecular FormulaC17H23N3S3
Molecular Weight365.59 g/mol
Exact Mass365.11
IUPAC NameN-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline
SMILESCN(C)Sc1ccc(SNc2ccccc2N2CCCCC2)s1
InChIInChI=1S/C17H23N3S3/c1-19(2)23-17-11-10-16(21-17)22-18-14-8-4-5-9-15(14)20-12-6-3-7-13-20/h4-5,8-11,18H,3,6-7,12-13H2,1-2H3
InChIKeyPBCLABHEXNDYHD-UHFFFAOYSA-N
XLogP5.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline?
The IUPAC name of N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline (CID 163241638) is N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline?
The canonical SMILES for N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline is CN(C)Sc1ccc(SNc2ccccc2N2CCCCC2)s1.
What is the InChIKey of N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline?
The InChIKey is PBCLABHEXNDYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S3/c1-19(2)23-17-11-10-16(21-17)22-18-14-8-4-5-9-15(14)20-12-6-3-7-13-20/h4-5,8-11,18H,3,6-7,12-13H2,1-2H3.
What are the key properties of N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline?
N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline has a molecular weight of 365.59 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylaminosulfanyl)thiophen-2-yl]sulfanyl-2-piperidin-1-ylaniline is sourced from PubChem (CID 163241638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).