(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine

C10H17NS — CID 146334874

IUPAC(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine
SMILESCSC#CCN1CCCC[C@H]1C
InChIInChI=1S/C10H17NS/c1-10-6-3-4-7-11(10)8-5-9-12-2/h10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyAJGOIRMXGXTCTD-SNVBAGLBSA-N
MW183.32 g/mol
LogP2.18
Rot. Bonds1

About (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine

(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine (PubChem CID 146334874) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine
PubChem CID146334874
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine
SMILESCSC#CCN1CCCC[C@H]1C
InChIInChI=1S/C10H17NS/c1-10-6-3-4-7-11(10)8-5-9-12-2/h10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyAJGOIRMXGXTCTD-SNVBAGLBSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-but-2-ynyl-2-methylpiperidine
CID 142317650
(2R)-1-(4,4-dimethylpent-2-ynyl)-2-methylpiperidine
CID 153319004
(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
(2-methylpiperidin-1-yl)methanol
CID 67262865
(2S)-2-methyl-1-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperidine
CID 26412043
ethane;1-ethyl-2-methylazepane
CID 145020951
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine?
The IUPAC name of (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine (CID 146334874) is (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine.
What is the SMILES notation for (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine?
The canonical SMILES for (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine is CSC#CCN1CCCC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine?
The InChIKey is AJGOIRMXGXTCTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NS/c1-10-6-3-4-7-11(10)8-5-9-12-2/h10H,3-4,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine?
(2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine has a molecular weight of 183.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3-methylsulfanylprop-2-ynyl)piperidine is sourced from PubChem (CID 146334874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).