2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol

C17H22N4S2 — CID 123752323

IUPAC2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol
SMILESCN(CC1CCCN(c2ccc(S)cn2)C1)c1ncccc1S
InChIInChI=1S/C17H22N4S2/c1-20(17-15(23)5-2-8-18-17)11-13-4-3-9-21(12-13)16-7-6-14(22)10-19-16/h2,5-8,10,13,22-23H,3-4,9,11-12H2,1H3
InChIKeyUFGCOADQDQMOAC-UHFFFAOYSA-N
MW346.53 g/mol
LogP3.41
Rot. Bonds4

About 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol

2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol (PubChem CID 123752323) has the molecular formula C17H22N4S2 and a molecular weight of 346.53 g/mol. Its IUPAC name is 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol.

Molecular Properties

Compound Name2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol
PubChem CID123752323
Molecular FormulaC17H22N4S2
Molecular Weight346.53 g/mol
Exact Mass346.13
IUPAC Name2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol
SMILESCN(CC1CCCN(c2ccc(S)cn2)C1)c1ncccc1S
InChIInChI=1S/C17H22N4S2/c1-20(17-15(23)5-2-8-18-17)11-13-4-3-9-21(12-13)16-7-6-14(22)10-19-16/h2,5-8,10,13,22-23H,3-4,9,11-12H2,1H3
InChIKeyUFGCOADQDQMOAC-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol 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-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63274229
(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
N,N-dimethyl-3-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095072
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129414410
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
6-[3-(fluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 121200980
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol?
The IUPAC name of 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol (CID 123752323) is 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol.
What is the SMILES notation for 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol?
The canonical SMILES for 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol is CN(CC1CCCN(c2ccc(S)cn2)C1)c1ncccc1S.
What is the InChIKey of 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol?
The InChIKey is UFGCOADQDQMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S2/c1-20(17-15(23)5-2-8-18-17)11-13-4-3-9-21(12-13)16-7-6-14(22)10-19-16/h2,5-8,10,13,22-23H,3-4,9,11-12H2,1H3.
What are the key properties of 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol?
2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol has a molecular weight of 346.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[1-(5-sulfanyl-2-pyridinyl)piperidin-3-yl]methyl]amino]pyridine-3-thiol is sourced from PubChem (CID 123752323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).