methanamine;piperidine-3-thiol

C6H16N2S — CID 145273838

IUPACmethanamine;piperidine-3-thiol
SMILESCN.SC1CCCNC1
InChIInChI=1S/C5H11NS.CH5N/c7-5-2-1-3-6-4-5;1-2/h5-7H,1-4H2;2H2,1H3
InChIKeyQEQQVDKWZAONTM-UHFFFAOYSA-N
MW148.27 g/mol
LogP0.24
Rot. Bonds

About methanamine;piperidine-3-thiol

methanamine;piperidine-3-thiol (PubChem CID 145273838) has the molecular formula C6H16N2S and a molecular weight of 148.27 g/mol. Its IUPAC name is methanamine;piperidine-3-thiol.

Molecular Properties

Compound Namemethanamine;piperidine-3-thiol
PubChem CID145273838
Molecular FormulaC6H16N2S
Molecular Weight148.27 g/mol
Exact Mass148.10
IUPAC Namemethanamine;piperidine-3-thiol
SMILESCN.SC1CCCNC1
InChIInChI=1S/C5H11NS.CH5N/c7-5-2-1-3-6-4-5;1-2/h5-7H,1-4H2;2H2,1H3
InChIKeyQEQQVDKWZAONTM-UHFFFAOYSA-N
XLogP0.24
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-piperidine-3-thiol
CID 87194956
piperidine-3-thiol;hydrochloride
CID 56604780
methanamine;3-methylpiperidine
CID 178081150
(3S)-4-methylazepan-3-amine
CID 155145613
piperidin-3-amine;hydrate
CID 90355910
(3S)-piperidin-3-amine;hydrate
CID 90355913
ethane;(3S)-3-methylpiperidine
CID 144634573
ethane;3-methylpiperidine;hydrate
CID 142361877
trimethyl(piperidin-3-yl)silane
CID 121210461
(3R)-3-tert-butylpiperidine
CID 59772800
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755

Frequently Asked Questions

What is the IUPAC name of methanamine;piperidine-3-thiol?
The IUPAC name of methanamine;piperidine-3-thiol (CID 145273838) is methanamine;piperidine-3-thiol.
What is the SMILES notation for methanamine;piperidine-3-thiol?
The canonical SMILES for methanamine;piperidine-3-thiol is CN.SC1CCCNC1.
What is the InChIKey of methanamine;piperidine-3-thiol?
The InChIKey is QEQQVDKWZAONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.CH5N/c7-5-2-1-3-6-4-5;1-2/h5-7H,1-4H2;2H2,1H3.
What are the key properties of methanamine;piperidine-3-thiol?
methanamine;piperidine-3-thiol has a molecular weight of 148.27 g/mol, XLogP of 0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;piperidine-3-thiol is sourced from PubChem (CID 145273838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).