N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine

C13H23N3O3S — CID 80552473

IUPACN-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)Cc2cc(C)on2)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-14-9-12-4-6-16(7-5-12)20(17,18)10-13-8-11(2)19-15-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyFSPPFBHWOZPBPP-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine

N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 80552473) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
PubChem CID80552473
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(S(=O)(=O)Cc2cc(C)on2)CC1
InChIInChI=1S/C13H23N3O3S/c1-3-14-9-12-4-6-16(7-5-12)20(17,18)10-13-8-11(2)19-15-13/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyFSPPFBHWOZPBPP-UHFFFAOYSA-N
XLogP1.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-3-yl]methanol
CID 62371531
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperazin-1-yl]ethanol
CID 43501424
4-ethyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114427464
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-4-carboxylic acid
CID 63123907
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63849789
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(cyclopropylmethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]acetamide
CID 47207681
1-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]pyrrolidin-2-yl]propan-2-ol
CID 79546818
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine (CID 80552473) is N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(S(=O)(=O)Cc2cc(C)on2)CC1.
What is the InChIKey of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is FSPPFBHWOZPBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-14-9-12-4-6-16(7-5-12)20(17,18)10-13-8-11(2)19-15-13/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80552473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).