(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane

C13H20N2O3S2 — CID 97471956

IUPAC(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCN1CC[C@]2(COCCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C13H20N2O3S2/c1-14-5-4-13(9-14)10-15(6-7-18-11-13)20(16,17)12-3-2-8-19-12/h2-3,8H,4-7,9-11H2,1H3/t13-/m0/s1
InChIKeyDYBZXCDCDRDVPK-ZDUSSCGKSA-N
MW316.45 g/mol
LogP1.09
Rot. Bonds2

About (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97471956) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97471956
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCN1CC[C@]2(COCCN(S(=O)(=O)c3cccs3)C2)C1
InChIInChI=1S/C13H20N2O3S2/c1-14-5-4-13(9-14)10-15(6-7-18-11-13)20(16,17)12-3-2-8-19-12/h2-3,8H,4-7,9-11H2,1H3/t13-/m0/s1
InChIKeyDYBZXCDCDRDVPK-ZDUSSCGKSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131660489
(5R)-2-methyl-10-(1-methylimidazol-4-yl)sulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471958
(3S)-3-(morpholin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
CID 124992631
2-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonane
CID 82038199
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186
2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
CID 166170976
ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
CID 144770357
10-cyclopropylsulfonyl-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;2,2,2-trifluoroacetic acid
CID 155834780
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-thiophen-2-ylsulfonylpiperidine
CID 765823

Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97471956) is (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane is CN1CC[C@]2(COCCN(S(=O)(=O)c3cccs3)C2)C1.
What is the InChIKey of (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is DYBZXCDCDRDVPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-14-5-4-13(9-14)10-15(6-7-18-11-13)20(16,17)12-3-2-8-19-12/h2-3,8H,4-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 316.45 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97471956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).