N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

C15H23N3O4S — CID 154780932

IUPACN-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)16-10-11-6-4-5-9-18(11)15(19)14-12-7-2-3-8-13(12)22-17-14/h11,16H,2-10H2,1H3
InChIKeyBBCVYABXDHLUOD-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.10
Rot. Bonds4

About N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 154780932) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID154780932
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)c1noc2c1CCCC2
InChIInChI=1S/C15H23N3O4S/c1-23(20,21)16-10-11-6-4-5-9-18(11)15(19)14-12-7-2-3-8-13(12)22-17-14/h11,16H,2-10H2,1H3
InChIKeyBBCVYABXDHLUOD-UHFFFAOYSA-N
XLogP1.10
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 120536810
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 124572810
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
N-[[1-[4-(aminomethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119288822
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
N-[[1-[4-(piperidin-1-ylmethyl)benzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43062811
N-[[1-(6-methylpyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073456
[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]urea
CID 43073423
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 120949851
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
N-[(3S,4R)-4-cyclopropyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 133131972

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide (CID 154780932) is N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)c1noc2c1CCCC2.
What is the InChIKey of N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is BBCVYABXDHLUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-23(20,21)16-10-11-6-4-5-9-18(11)15(19)14-12-7-2-3-8-13(12)22-17-14/h11,16H,2-10H2,1H3.
What are the key properties of N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 154780932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).