N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine

C14H23N3O3S — CID 63878245

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-7-3-4-12(9-17)8-15-13-5-6-13/h12-13,15H,3-9H2,1-2H3
InChIKeyAOLFNXTUIJRFNM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.44
Rot. Bonds5

About N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 63878245) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID63878245
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-7-3-4-12(9-17)8-15-13-5-6-13/h12-13,15H,3-9H2,1-2H3
InChIKeyAOLFNXTUIJRFNM-UHFFFAOYSA-N
XLogP1.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241787
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 63401014
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63879299
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
4-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 25460957
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine (CID 63878245) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine is Cc1noc(C)c1S(=O)(=O)N1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is AOLFNXTUIJRFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-7-3-4-12(9-17)8-15-13-5-6-13/h12-13,15H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 313.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63878245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).