1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone

C13H17NO3S — CID 99841411

IUPAC1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC[C@]12CCOC2
InChIInChI=1S/C13H17NO3S/c15-12(7-11-1-6-18-8-11)14-3-5-17-10-13(14)2-4-16-9-13/h1,6,8H,2-5,7,9-10H2/t13-/m1/s1
InChIKeyVEEDGBAJICTQGH-CYBMUJFWSA-N
MW267.35 g/mol
LogP1.31
Rot. Bonds2

About 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone

1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone (PubChem CID 99841411) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
PubChem CID99841411
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCOC[C@]12CCOC2
InChIInChI=1S/C13H17NO3S/c15-12(7-11-1-6-18-8-11)14-3-5-17-10-13(14)2-4-16-9-13/h1,6,8H,2-5,7,9-10H2/t13-/m1/s1
InChIKeyVEEDGBAJICTQGH-CYBMUJFWSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone with MolForge

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Related Compounds

1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
CID 119037778
2-(3-hydroxyphenyl)-1-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 75518815
3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-(1-benzothiophen-3-yl)-1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)butan-1-one
CID 126812463
1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanone
CID 116748642
4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
1-[11-(pyridin-3-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]-2-thiophen-3-ylethanone
CID 97399423
(3aS,7aS)-2-(2-thiophen-3-ylacetyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627209

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone (CID 99841411) is 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCOC[C@]12CCOC2.
What is the InChIKey of 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone?
The InChIKey is VEEDGBAJICTQGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(7-11-1-6-18-8-11)14-3-5-17-10-13(14)2-4-16-9-13/h1,6,8H,2-5,7,9-10H2/t13-/m1/s1.
What are the key properties of 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone?
1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 99841411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).