[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone

C18H26N4O4S2 — CID 97491439

IUPAC[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1
InChIInChI=1S/C18H26N4O4S2/c1-20(2)14-5-8-21(9-6-14)17(23)15-12-18(26-19-15)7-10-22(13-18)28(24,25)16-4-3-11-27-16/h3-4,11,14H,5-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyJCMHIWBXRIEYPZ-GOSISDBHSA-N
MW426.56 g/mol
LogP1.21
Rot. Bonds4

About [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone (PubChem CID 97491439) has the molecular formula C18H26N4O4S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
PubChem CID97491439
Molecular FormulaC18H26N4O4S2
Molecular Weight426.56 g/mol
Exact Mass426.14
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1
InChIInChI=1S/C18H26N4O4S2/c1-20(2)14-5-8-21(9-6-14)17(23)15-12-18(26-19-15)7-10-22(13-18)28(24,25)16-4-3-11-27-16/h3-4,11,14H,5-10,12-13H2,1-2H3/t18-/m1/s1
InChIKeyJCMHIWBXRIEYPZ-GOSISDBHSA-N
XLogP1.21
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
[4-(3-phenylpropyl)piperazin-1-yl]-(8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)methanone
CID 10229611
[4-(2-methylphenyl)piperazin-1-yl]-(8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)methanone;8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 157185477
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
7-thiophen-2-ylsulfonyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 131659830
(4-cycloheptylpiperazin-1-yl)-[8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl]methanone
CID 67393654
6-tert-butyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759450
(4R,5R)-4-(propan-2-yloxymethyl)-9-thiophen-2-ylsulfonyl-6-oxa-9-azaspiro[4.5]decane
CID 97451871
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone (CID 97491439) is [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone is CN(C)C1CCN(C(=O)C2=NO[C@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The InChIKey is JCMHIWBXRIEYPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O4S2/c1-20(2)14-5-8-21(9-6-14)17(23)15-12-18(26-19-15)7-10-22(13-18)28(24,25)16-4-3-11-27-16/h3-4,11,14H,5-10,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone is sourced from PubChem (CID 97491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).