N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide

C14H23N3O3S — CID 171324311

IUPACN-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
SMILESCN(CC1CCN(Cc2cocn2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H23N3O3S/c1-16(21(18,19)14-2-3-14)8-12-4-6-17(7-5-12)9-13-10-20-11-15-13/h10-12,14H,2-9H2,1H3
InChIKeyTZXUFXGDTXFBCR-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds6

About N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide

N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide (PubChem CID 171324311) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
PubChem CID171324311
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
SMILESCN(CC1CCN(Cc2cocn2)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C14H23N3O3S/c1-16(21(18,19)14-2-3-14)8-12-4-6-17(7-5-12)9-13-10-20-11-15-13/h10-12,14H,2-9H2,1H3
InChIKeyTZXUFXGDTXFBCR-UHFFFAOYSA-N
XLogP1.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide (CID 171324311) is N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide is CN(CC1CCN(Cc2cocn2)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide?
The InChIKey is TZXUFXGDTXFBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(21(18,19)14-2-3-14)8-12-4-6-17(7-5-12)9-13-10-20-11-15-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide?
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 171324311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).