3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride

C17H26ClN3O2S — CID 159347443

IUPAC3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
SMILESCN1CCC(c2c[nH]c3ccc(CCCNOOS)cc23)CC1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-20-9-6-14(7-10-20)16-12-18-17-5-4-13(11-15(16)17)3-2-8-19-21-22-23;/h4-5,11-12,14,18-19,23H,2-3,6-10H2,1H3;1H
InChIKeyRLIGRYRGVLGMBD-UHFFFAOYSA-N
MW371.93 g/mol
LogP3.63
Rot. Bonds7

About 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride

3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride (PubChem CID 159347443) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
PubChem CID159347443
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
SMILESCN1CCC(c2c[nH]c3ccc(CCCNOOS)cc23)CC1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-20-9-6-14(7-10-20)16-12-18-17-5-4-13(11-15(16)17)3-2-8-19-21-22-23;/h4-5,11-12,14,18-19,23H,2-3,6-10H2,1H3;1H
InChIKeyRLIGRYRGVLGMBD-UHFFFAOYSA-N
XLogP3.63
TPSA49.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide
CID 45040003
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
CID 70195086
5-(4-methoxyphenyl)sulfanyl-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15871195

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride?
The IUPAC name of 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride (CID 159347443) is 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride is CN1CCC(c2c[nH]c3ccc(CCCNOOS)cc23)CC1.Cl.
What is the InChIKey of 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride?
The InChIKey is RLIGRYRGVLGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-20-9-6-14(7-10-20)16-12-18-17-5-4-13(11-15(16)17)3-2-8-19-21-22-23;/h4-5,11-12,14,18-19,23H,2-3,6-10H2,1H3;1H.
What are the key properties of 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride?
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 159347443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).