N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide

C15H18N2O2S — CID 111484943

IUPACN-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H18N2O2S/c18-14(17-10-15(19)4-7-20-8-5-15)12-2-1-11-3-6-16-13(11)9-12/h1-3,6,9,16,19H,4-5,7-8,10H2,(H,17,18)
InChIKeyBEZOECFSYYLQIU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide

N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide (PubChem CID 111484943) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide
PubChem CID111484943
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H18N2O2S/c18-14(17-10-15(19)4-7-20-8-5-15)12-2-1-11-3-6-16-13(11)9-12/h1-3,6,9,16,19H,4-5,7-8,10H2,(H,17,18)
InChIKeyBEZOECFSYYLQIU-UHFFFAOYSA-N
XLogP2.16
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide (CID 111484943) is N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide is O=C(NCC1(O)CCSCC1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide?
The InChIKey is BEZOECFSYYLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(17-10-15(19)4-7-20-8-5-15)12-2-1-11-3-6-16-13(11)9-12/h1-3,6,9,16,19H,4-5,7-8,10H2,(H,17,18).
What are the key properties of N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide?
N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 111484943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).