N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide

C16H20N2OS — CID 110853397

IUPACN-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCCS1
InChIInChI=1S/C16H20N2OS/c19-16(15-7-3-4-10-20-15)17-9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,17,19)
InChIKeyPWWIVNLSMYXNSX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide (PubChem CID 110853397) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
PubChem CID110853397
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCCS1
InChIInChI=1S/C16H20N2OS/c19-16(15-7-3-4-10-20-15)17-9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,17,19)
InChIKeyPWWIVNLSMYXNSX-UHFFFAOYSA-N
XLogP3.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
CID 5020167
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide (CID 110853397) is N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCCCS1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide?
The InChIKey is PWWIVNLSMYXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(15-7-3-4-10-20-15)17-9-8-12-11-18-14-6-2-1-5-13(12)14/h1-2,5-6,11,15,18H,3-4,7-10H2,(H,17,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide is sourced from PubChem (CID 110853397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).