N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C19H28N2O2S — CID 91919391

IUPACN-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESO=C(CC1CCOC2(CCN(Cc3cccs3)CC2)C1)NC1CC1
InChIInChI=1S/C19H28N2O2S/c22-18(20-16-3-4-16)12-15-5-10-23-19(13-15)6-8-21(9-7-19)14-17-2-1-11-24-17/h1-2,11,15-16H,3-10,12-14H2,(H,20,22)
InChIKeyZFIYLKVTFKFUPJ-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919391) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919391
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESO=C(CC1CCOC2(CCN(Cc3cccs3)CC2)C1)NC1CC1
InChIInChI=1S/C19H28N2O2S/c22-18(20-16-3-4-16)12-15-5-10-23-19(13-15)6-8-21(9-7-19)14-17-2-1-11-24-17/h1-2,11,15-16H,3-10,12-14H2,(H,20,22)
InChIKeyZFIYLKVTFKFUPJ-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919391) is N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is O=C(CC1CCOC2(CCN(Cc3cccs3)CC2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is ZFIYLKVTFKFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(20-16-3-4-16)12-15-5-10-23-19(13-15)6-8-21(9-7-19)14-17-2-1-11-24-17/h1-2,11,15-16H,3-10,12-14H2,(H,20,22).
What are the key properties of N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 348.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).