(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol

C10H19NS — CID 134203251

IUPAC(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol
SMILESC[C@H]1C[C@H](S)CN(CC2CC2)C1
InChIInChI=1S/C10H19NS/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyXZCUUPTXOPUEOY-WPRPVWTQSA-N
MW185.34 g/mol
LogP2.04
Rot. Bonds2

About (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol

(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol (PubChem CID 134203251) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol.

Molecular Properties

Compound Name(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol
PubChem CID134203251
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol
SMILESC[C@H]1C[C@H](S)CN(CC2CC2)C1
InChIInChI=1S/C10H19NS/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10-/m0/s1
InChIKeyXZCUUPTXOPUEOY-WPRPVWTQSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
[4-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527069
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
1-(cyclopentylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991895
(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
CID 174261411
1-(cyclohexylmethyl)-N-cyclopropyl-5-methylpiperidin-3-amine
CID 83991902
N-cyclohexyl-1-(cyclopentylmethyl)-5-methylpiperidin-3-amine
CID 83999504
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol?
The IUPAC name of (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol (CID 134203251) is (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol.
What is the SMILES notation for (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol?
The canonical SMILES for (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol is C[C@H]1C[C@H](S)CN(CC2CC2)C1.
What is the InChIKey of (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol?
The InChIKey is XZCUUPTXOPUEOY-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H19NS/c1-8-4-10(12)7-11(5-8)6-9-2-3-9/h8-10,12H,2-7H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol?
(3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(cyclopropylmethyl)-5-methylpiperidine-3-thiol is sourced from PubChem (CID 134203251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).