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

C14H23N3O3S — CID 63879299

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-3-5-13(17)9-15-12-6-7-12/h12-13,15H,3-9H2,1-2H3
InChIKeyNPVDONPZYIFYMO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.59
Rot. Bonds5

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

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine (PubChem CID 63879299) 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-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
PubChem CID63879299
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1CNC1CC1
InChIInChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-3-5-13(17)9-15-12-6-7-12/h12-13,15H,3-9H2,1-2H3
InChIKeyNPVDONPZYIFYMO-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine (CID 63879299) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine is Cc1noc(C)c1S(=O)(=O)N1CCCCC1CNC1CC1.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine?
The InChIKey is NPVDONPZYIFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-14(11(2)20-16-10)21(18,19)17-8-4-3-5-13(17)9-15-12-6-7-12/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-2-yl]methyl]cyclopropanamine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine has a molecular weight of 313.42 g/mol, XLogP of 1.59, 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-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63879299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).