N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide

C11H19N3O3S — CID 47359106

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-9-10(2)17-11(13-9)8-12-18(15,16)14-6-4-3-5-7-14/h12H,3-8H2,1-2H3
InChIKeyTWCWIRIQPSUDHQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.11
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide (PubChem CID 47359106) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
PubChem CID47359106
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide
SMILESCc1nc(CNS(=O)(=O)N2CCCCC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-9-10(2)17-11(13-9)8-12-18(15,16)14-6-4-3-5-7-14/h12H,3-8H2,1-2H3
InChIKeyTWCWIRIQPSUDHQ-UHFFFAOYSA-N
XLogP1.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
4-[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 53523628
4,5-Dimethyl-2-[(4-piperidin-1-ylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53577576
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylamino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 75443117
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 102673117
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoroethanamine
CID 106372525
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoropropan-1-amine
CID 106372613
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6,6,6-trifluorohexan-2-amine
CID 113723094
[(2S,4S)-1-[(dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030866
{1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoropyrrolidin-2-yl}methanamine
CID 122199403

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide (CID 47359106) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide is Cc1nc(CNS(=O)(=O)N2CCCCC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is TWCWIRIQPSUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-10(2)17-11(13-9)8-12-18(15,16)14-6-4-3-5-7-14/h12H,3-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47359106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).