N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide

C17H20N2O2S — CID 99601505

IUPACN-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H20N2O2S/c20-16(13-2-1-12-3-6-18-15(12)9-13)19-14-4-7-21-17(10-14)5-8-22-11-17/h1-3,6,9,14,18H,4-5,7-8,10-11H2,(H,19,20)/t14-,17+/m0/s1
InChIKeyCBQNONCNEPYESJ-WMLDXEAASA-N
MW316.43 g/mol
LogP2.95
Rot. Bonds2

About N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide

N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide (PubChem CID 99601505) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide
PubChem CID99601505
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C17H20N2O2S/c20-16(13-2-1-12-3-6-18-15(12)9-13)19-14-4-7-21-17(10-14)5-8-22-11-17/h1-3,6,9,14,18H,4-5,7-8,10-11H2,(H,19,20)/t14-,17+/m0/s1
InChIKeyCBQNONCNEPYESJ-WMLDXEAASA-N
XLogP2.95
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
CID 79897402
2-(hydroxymethyl)-N-(1-oxaspiro[5.5]undecan-4-yl)-3H-benzimidazole-5-carboxamide
CID 126839258
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
1-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-[(1S)-1-phenylethyl]urea
CID 98793521
1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
CID 97235550
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
7-fluoro-N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]quinoxaline-6-carboxamide
CID 125140074
N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide
CID 111484943

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide (CID 99601505) is N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide?
The InChIKey is CBQNONCNEPYESJ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-16(13-2-1-12-3-6-18-15(12)9-13)19-14-4-7-21-17(10-14)5-8-22-11-17/h1-3,6,9,14,18H,4-5,7-8,10-11H2,(H,19,20)/t14-,17+/m0/s1.
What are the key properties of N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide?
N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 99601505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).