(2R,4S)-2-methylpiperidine-4-thiol

C6H13NS — CID 94843330

IUPAC(2R,4S)-2-methylpiperidine-4-thiol
SMILESC[C@@H]1C[C@@H](S)CCN1
InChIInChI=1S/C6H13NS/c1-5-4-6(8)2-3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMKRVFBSJMPWKOC-RITPCOANSA-N
MW131.24 g/mol
LogP1.06
Rot. Bonds

About (2R,4S)-2-methylpiperidine-4-thiol

(2R,4S)-2-methylpiperidine-4-thiol (PubChem CID 94843330) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (2R,4S)-2-methylpiperidine-4-thiol.

Molecular Properties

Compound Name(2R,4S)-2-methylpiperidine-4-thiol
PubChem CID94843330
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(2R,4S)-2-methylpiperidine-4-thiol
SMILESC[C@@H]1C[C@@H](S)CCN1
InChIInChI=1S/C6H13NS/c1-5-4-6(8)2-3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMKRVFBSJMPWKOC-RITPCOANSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,4-dimethylpiperidine
CID 144551274
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
4-cyclopropyl-2-methylpiperidine
CID 82594092
(2R,4S)-4-iodo-2-methylpiperidine
CID 156844978
ethane;2-methylpiperidin-4-amine
CID 142519912
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
4-methoxy-2-methylpiperidine
CID 23546928
[(2R,4S)-2-methylpiperidin-4-yl]methanamine
CID 129409873
6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 165117127
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
2-methyl-4-(oxan-4-yl)piperidine
CID 106778946
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
CID 95913690

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methylpiperidine-4-thiol?
The IUPAC name of (2R,4S)-2-methylpiperidine-4-thiol (CID 94843330) is (2R,4S)-2-methylpiperidine-4-thiol.
What is the SMILES notation for (2R,4S)-2-methylpiperidine-4-thiol?
The canonical SMILES for (2R,4S)-2-methylpiperidine-4-thiol is C[C@@H]1C[C@@H](S)CCN1.
What is the InChIKey of (2R,4S)-2-methylpiperidine-4-thiol?
The InChIKey is MKRVFBSJMPWKOC-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-4-6(8)2-3-7-5/h5-8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (2R,4S)-2-methylpiperidine-4-thiol?
(2R,4S)-2-methylpiperidine-4-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methylpiperidine-4-thiol is sourced from PubChem (CID 94843330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).