N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C16H20N2O2S — CID 128594426

IUPACN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CCOC2(CCC2)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C16H20N2O2S/c19-15(13-8-14-12(18-13)3-7-21-14)17-10-11-2-6-20-16(9-11)4-1-5-16/h3,7-8,11,18H,1-2,4-6,9-10H2,(H,17,19)
InChIKeySPYGXOHTDGQVGS-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.31
Rot. Bonds3

About N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 128594426) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID128594426
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CCOC2(CCC2)C1)c1cc2sccc2[nH]1
InChIInChI=1S/C16H20N2O2S/c19-15(13-8-14-12(18-13)3-7-21-14)17-10-11-2-6-20-16(9-11)4-1-5-16/h3,7-8,11,18H,1-2,4-6,9-10H2,(H,17,19)
InChIKeySPYGXOHTDGQVGS-UHFFFAOYSA-N
XLogP3.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 95197349
N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
CID 176515523
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
CID 79894255
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 128624558
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
1-(5-chloro-4-methyl-3-pyridinyl)-3-[[(8S)-5-oxaspiro[3.5]nonan-8-yl]methyl]urea
CID 164637361
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719

Frequently Asked Questions

What is the IUPAC name of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 128594426) is N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCC1CCOC2(CCC2)C1)c1cc2sccc2[nH]1.
What is the InChIKey of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SPYGXOHTDGQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15(13-8-14-12(18-13)3-7-21-14)17-10-11-2-6-20-16(9-11)4-1-5-16/h3,7-8,11,18H,1-2,4-6,9-10H2,(H,17,19).
What are the key properties of N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxaspiro[3.5]nonan-8-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 128594426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).