(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C15H21N3O3S — CID 124813778

IUPAC(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1C
InChIInChI=1S/C15H21N3O3S/c1-16-14(20)12-6-21-15(8-17(12)2)9-18(10-15)13(19)5-11-3-4-22-7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyQUDVWVGLDXAQMC-LBPRGKRZSA-N
MW323.42 g/mol
LogP-0.05
Rot. Bonds3

About (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124813778) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID124813778
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1C
InChIInChI=1S/C15H21N3O3S/c1-16-14(20)12-6-21-15(8-17(12)2)9-18(10-15)13(19)5-11-3-4-22-7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,16,20)/t12-/m0/s1
InChIKeyQUDVWVGLDXAQMC-LBPRGKRZSA-N
XLogP-0.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124798787
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
CID 164636350
2-(2-methoxyacetyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693051
8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677509
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832
N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693922
(7R)-N,8-dimethyl-2-(naphthalen-1-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813793
2-[(2-methoxyphenyl)methyl]-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658445
1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-thiophen-3-ylethanone
CID 135112971
(7R)-2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124814985
2-(5-chloro-1-benzofuran-2-carbonyl)-N,8-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131658487

Frequently Asked Questions

What is the IUPAC name of (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124813778) is (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@@H]1COC2(CN(C(=O)Cc3ccsc3)C2)CN1C.
What is the InChIKey of (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is QUDVWVGLDXAQMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-16-14(20)12-6-21-15(8-17(12)2)9-18(10-15)13(19)5-11-3-4-22-7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 323.42 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124813778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).