N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide

C15H23N3O4S — CID 155872412

IUPACN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCc2onc(CN3CCOCC3)c2C1)C1CC1
InChIInChI=1S/C15H23N3O4S/c19-23(20,12-2-3-12)17-11-1-4-15-13(9-11)14(16-22-15)10-18-5-7-21-8-6-18/h11-12,17H,1-10H2
InChIKeyFYHVLNLUKZPYDR-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.45
Rot. Bonds5

About N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide

N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide (PubChem CID 155872412) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
PubChem CID155872412
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCc2onc(CN3CCOCC3)c2C1)C1CC1
InChIInChI=1S/C15H23N3O4S/c19-23(20,12-2-3-12)17-11-1-4-15-13(9-11)14(16-22-15)10-18-5-7-21-8-6-18/h11-12,17H,1-10H2
InChIKeyFYHVLNLUKZPYDR-UHFFFAOYSA-N
XLogP0.45
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

3-(morpholin-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876049
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-2-carboxamide
CID 155870871
3,4-difluoro-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155872072
2-(oxan-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155871345
N-[(2-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876398
formic acid;5-methyl-N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155871264
3-(pyrrolidin-1-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-amine
CID 155876054
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871203
N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]pyridine-3-carboxamide
CID 155875834
2-methyl-N-[3-(pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 155871562
2-cyclopentyl-N-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]acetamide
CID 155878568
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154580808

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide (CID 155872412) is N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCc2onc(CN3CCOCC3)c2C1)C1CC1.
What is the InChIKey of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide?
The InChIKey is FYHVLNLUKZPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-23(20,12-2-3-12)17-11-1-4-15-13(9-11)14(16-22-15)10-18-5-7-21-8-6-18/h11-12,17H,1-10H2.
What are the key properties of N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide?
N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]cyclopropanesulfonamide is sourced from PubChem (CID 155872412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).