3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole

C16H22N2S — CID 144855106

IUPAC3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
SMILESCC(C)SN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N2S/c1-12(2)19-18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyIEBXIGLEMQTCRZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.40
Rot. Bonds3

About 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole

3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole (PubChem CID 144855106) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
PubChem CID144855106
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
SMILESCC(C)SN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H22N2S/c1-12(2)19-18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyIEBXIGLEMQTCRZ-UHFFFAOYSA-N
XLogP4.40
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
methane;3-piperidin-4-yl-1H-indole
CID 70444570
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole (CID 144855106) is 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole is CC(C)SN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole?
The InChIKey is IEBXIGLEMQTCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)19-18-9-7-13(8-10-18)15-11-17-16-6-4-3-5-14(15)16/h3-6,11-13,17H,7-10H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole?
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole has a molecular weight of 274.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 144855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).