7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane

C15H28N2S — CID 167251119

IUPAC7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
SMILESCC1CCN(CC2CCC3(CC2)CN(S)C3)CC1
InChIInChI=1S/C15H28N2S/c1-13-4-8-16(9-5-13)10-14-2-6-15(7-3-14)11-17(18)12-15/h13-14,18H,2-12H2,1H3
InChIKeyGLPRSIWAEMOCOG-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.06
Rot. Bonds2

About 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane

7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane (PubChem CID 167251119) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
PubChem CID167251119
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
SMILESCC1CCN(CC2CCC3(CC2)CN(S)C3)CC1
InChIInChI=1S/C15H28N2S/c1-13-4-8-16(9-5-13)10-14-2-6-15(7-3-14)11-17(18)12-15/h13-14,18H,2-12H2,1H3
InChIKeyGLPRSIWAEMOCOG-UHFFFAOYSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195325
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
CID 177319175
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane?
The IUPAC name of 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane (CID 167251119) is 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane is CC1CCN(CC2CCC3(CC2)CN(S)C3)CC1.
What is the InChIKey of 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane?
The InChIKey is GLPRSIWAEMOCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-13-4-8-16(9-5-13)10-14-2-6-15(7-3-14)11-17(18)12-15/h13-14,18H,2-12H2,1H3.
What are the key properties of 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane?
7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane has a molecular weight of 268.47 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 167251119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).