(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C15H21N3O4S2 — CID 97491293

IUPAC(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C15H21N3O4S2/c1-11(2)17(3)14(19)12-9-15(22-16-12)6-7-18(10-15)24(20,21)13-5-4-8-23-13/h4-5,8,11H,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyPKUCUMVSTXNJOB-OAHLLOKOSA-N
MW371.48 g/mol
LogP1.52
Rot. Bonds4

About (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491293) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491293
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC Name(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C15H21N3O4S2/c1-11(2)17(3)14(19)12-9-15(22-16-12)6-7-18(10-15)24(20,21)13-5-4-8-23-13/h4-5,8,11H,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyPKUCUMVSTXNJOB-OAHLLOKOSA-N
XLogP1.52
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396168
[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
(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491304
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
[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
(5R)-7-(4-methylphenyl)sulfonyl-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491230
7-thiophen-2-ylsulfonyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 131659830
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (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) is (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)N(C)C(=O)C1=NO[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1.
What is the InChIKey of (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is PKUCUMVSTXNJOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-11(2)17(3)14(19)12-9-15(22-16-12)6-7-18(10-15)24(20,21)13-5-4-8-23-13/h4-5,8,11H,6-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).