3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide

C14H22N4O4S — CID 167868315

IUPAC3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NC1[C@H]2CN(Cc3ccon3)C[C@@H]12
InChIInChI=1S/C14H22N4O4S/c1-17(2)23(20,21)6-4-13(19)15-14-11-8-18(9-12(11)14)7-10-3-5-22-16-10/h3,5,11-12,14H,4,6-9H2,1-2H3,(H,15,19)/t11-,12+,14?
InChIKeyJZWXLNTUVPKFQY-ONXXMXGDSA-N
MW342.42 g/mol
LogP-0.50
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide

3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide (PubChem CID 167868315) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
PubChem CID167868315
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NC1[C@H]2CN(Cc3ccon3)C[C@@H]12
InChIInChI=1S/C14H22N4O4S/c1-17(2)23(20,21)6-4-13(19)15-14-11-8-18(9-12(11)14)7-10-3-5-22-16-10/h3,5,11-12,14H,4,6-9H2,1-2H3,(H,15,19)/t11-,12+,14?
InChIKeyJZWXLNTUVPKFQY-ONXXMXGDSA-N
XLogP-0.50
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 154769758
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71989959
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(dimethylsulfamoyl)propanamide
CID 75514637
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841
2-[cyclopropyl(1,2-oxazol-3-ylmethylsulfonyl)amino]propanoic acid
CID 138001435
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
N-[(1S,2R)-2-methylsulfanylcyclohexyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 97318816
N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
3-(dimethylsulfamoyl)-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]propanamide
CID 138024589

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide (CID 167868315) is 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide is CN(C)S(=O)(=O)CCC(=O)NC1[C@H]2CN(Cc3ccon3)C[C@@H]12.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The InChIKey is JZWXLNTUVPKFQY-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-17(2)23(20,21)6-4-13(19)15-14-11-8-18(9-12(11)14)7-10-3-5-22-16-10/h3,5,11-12,14H,4,6-9H2,1-2H3,(H,15,19)/t11-,12+,14?.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide has a molecular weight of 342.42 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(1R,5S)-3-(1,2-oxazol-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]propanamide is sourced from PubChem (CID 167868315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).