1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone

C19H28N2O2S — CID 97494464

About 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone

1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 97494464) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

• Compound Name: 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
• PubChem CID: 97494464
• Molecular Formula: C19H28N2O2S
• Molecular Weight: 348.51 g/mol
• Exact Mass: 348.19
• IUPAC Name: 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
• SMILES: O=C(Cc1ccsc1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1
• InChI: InChI=1S/C19H28N2O2S/c22-18(10-17-4-9-24-12-17)21-6-1-5-19(14-21)13-20(7-8-23-15-19)11-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2/t19-/m0/s1
• InChIKey: RQVVAZQGUQZZEC-IBGZPJMESA-N
• XLogP: 2.64
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.51
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?

The IUPAC name of 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone (CID 97494464) is 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone.

What is the SMILES notation for 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?

The canonical SMILES for 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC[C@@]2(COCCN(CC3CC3)C2)C1.

What is the InChIKey of 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?

The InChIKey is RQVVAZQGUQZZEC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(10-17-4-9-24-12-17)21-6-1-5-19(14-21)13-20(7-8-23-15-19)11-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2/t19-/m0/s1.

What are the key properties of 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?

1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 348.51 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97494464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).