N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine

C16H23N3OS — CID 144855051

IUPACN-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
SMILESC=S(=O)(NCC)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H23N3OS/c1-3-18-21(2,20)19-10-8-13(9-11-19)15-12-17-16-7-5-4-6-14(15)16/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUSESWBCLTHKBTQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.50
Rot. Bonds4

About N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine

N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine (PubChem CID 144855051) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
PubChem CID144855051
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine
SMILESC=S(=O)(NCC)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H23N3OS/c1-3-18-21(2,20)19-10-8-13(9-11-19)15-12-17-16-7-5-4-6-14(15)16/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyUSESWBCLTHKBTQ-UHFFFAOYSA-N
XLogP2.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine with MolForge

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Related Compounds

3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(benzenesulfonyl)pyrrolidin-3-yl]-1H-indole
CID 110711055
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
trans-methyl (1R,2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylcyclohexane-1-carboxylate
CID 97352587
4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113087165

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine?
The IUPAC name of N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine (CID 144855051) is N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine.
What is the SMILES notation for N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine?
The canonical SMILES for N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine is C=S(=O)(NCC)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine?
The InChIKey is USESWBCLTHKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-18-21(2,20)19-10-8-13(9-11-19)15-12-17-16-7-5-4-6-14(15)16/h4-7,12-13,17H,2-3,8-11H2,1H3,(H,18,20).
What are the key properties of N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine?
N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine has a molecular weight of 305.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indol-3-yl)piperidin-1-yl]-methylidene-oxo-λ6-sulfanyl]ethanamine is sourced from PubChem (CID 144855051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).