N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide

C15H28N2O5S — CID 97476479

IUPACN,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1COCCC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H28N2O5S/c1-16(2)14(18)12-22-11-13-10-21-9-6-15(13)4-7-17(8-5-15)23(3,19)20/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyGVRHWKSGSGJUCN-ZDUSSCGKSA-N
MW348.47 g/mol
LogP0.17
Rot. Bonds5

About N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide

N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide (PubChem CID 97476479) has the molecular formula C15H28N2O5S and a molecular weight of 348.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
PubChem CID97476479
Molecular FormulaC15H28N2O5S
Molecular Weight348.47 g/mol
Exact Mass348.17
IUPAC NameN,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1COCCC12CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C15H28N2O5S/c1-16(2)14(18)12-22-11-13-10-21-9-6-15(13)4-7-17(8-5-15)23(3,19)20/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyGVRHWKSGSGJUCN-ZDUSSCGKSA-N
XLogP0.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[(5R)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide
CID 97476480
5-(methoxymethyl)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 131650714
2-(dimethylamino)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 131644047
(5R)-9-methylsulfonyl-5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475928
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
N,N-dimethyl-2-[[(6R)-4-methylsulfonyl-1,4-oxazepan-6-yl]oxy]acetamide
CID 75367817
N,N-dimethyl-2-[(4-methylsulfonyl-1,4-oxazepan-6-yl)oxy]acetamide
CID 163088747
9-(benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
1-[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 97418632
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457
2-(cyclohexen-1-yl)-1-[5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 118738883
[(5S)-5-(cyclopropylmethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3,3-difluorocyclobutyl)methanone
CID 97418737

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide (CID 97476479) is N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide is CN(C)C(=O)COC[C@@H]1COCCC12CCN(S(C)(=O)=O)CC2.
What is the InChIKey of N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide?
The InChIKey is GVRHWKSGSGJUCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O5S/c1-16(2)14(18)12-22-11-13-10-21-9-6-15(13)4-7-17(8-5-15)23(3,19)20/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide has a molecular weight of 348.47 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(5S)-9-methylsulfonyl-3-oxa-9-azaspiro[5.5]undecan-5-yl]methoxy]acetamide is sourced from PubChem (CID 97476479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).