1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone

C18H26N2O2S — CID 97491883

IUPAC1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C18H26N2O2S/c21-17(12-16-2-1-11-23-16)19-7-5-18(6-8-19)14-22-10-9-20(18)13-15-3-4-15/h1-2,11,15H,3-10,12-14H2
InChIKeyIHIKVPBHUJUNDY-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.39
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone

1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone (PubChem CID 97491883) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
PubChem CID97491883
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C18H26N2O2S/c21-17(12-16-2-1-11-23-16)19-7-5-18(6-8-19)14-22-10-9-20(18)13-15-3-4-15/h1-2,11,15H,3-10,12-14H2
InChIKeyIHIKVPBHUJUNDY-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone (CID 97491883) is 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC2(CC1)COCCN2CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone?
The InChIKey is IHIKVPBHUJUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(12-16-2-1-11-23-16)19-7-5-18(6-8-19)14-22-10-9-20(18)13-15-3-4-15/h1-2,11,15H,3-10,12-14H2.
What are the key properties of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone?
1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone has a molecular weight of 334.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 97491883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).