[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone

C17H26N2O2S — CID 97483949

IUPAC[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC[C@]2(CCC[C@@H](CN(C)C)O2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-6-10-22-15(13)16(20)19-9-8-17(12-19)7-4-5-14(21-17)11-18(2)3/h6,10,14H,4-5,7-9,11-12H2,1-3H3/t14-,17+/m0/s1
InChIKeyBWSOJBLXOLZKPX-WMLDXEAASA-N
MW322.47 g/mol
LogP2.77
Rot. Bonds3

About [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone

[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 97483949) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID97483949
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC[C@]2(CCC[C@@H](CN(C)C)O2)C1
InChIInChI=1S/C17H26N2O2S/c1-13-6-10-22-15(13)16(20)19-9-8-17(12-19)7-4-5-14(21-17)11-18(2)3/h6,10,14H,4-5,7-9,11-12H2,1-3H3/t14-,17+/m0/s1
InChIKeyBWSOJBLXOLZKPX-WMLDXEAASA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(5-methyl-3-pyridinyl)methanone
CID 124801594
1-benzothiophen-2-yl-[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97485993
(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420
1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124912452
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608
3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146685
N-[[(5R,7S)-2-(thiophene-3-carbonyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97475132
(3-methylfuran-2-yl)-[(5R,7S)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97475314
(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477333
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone (CID 97483949) is [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CC[C@]2(CCC[C@@H](CN(C)C)O2)C1.
What is the InChIKey of [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is BWSOJBLXOLZKPX-WMLDXEAASA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-6-10-22-15(13)16(20)19-9-8-17(12-19)7-4-5-14(21-17)11-18(2)3/h6,10,14H,4-5,7-9,11-12H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone?
[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 322.47 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97483949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).