4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

C16H27N5O3S — CID 70716106

IUPAC4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-19-15(12-20-8-10-24-11-9-20)17-18-16(19)13-4-6-21(7-5-13)25(22,23)14-2-3-14/h13-14H,2-12H2,1H3
InChIKeyHLTRLMLKTRQMFY-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.32
Rot. Bonds5

About 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine

4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70716106) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70716106
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-19-15(12-20-8-10-24-11-9-20)17-18-16(19)13-4-6-21(7-5-13)25(22,23)14-2-3-14/h13-14H,2-12H2,1H3
InChIKeyHLTRLMLKTRQMFY-UHFFFAOYSA-N
XLogP0.32
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 70716106) is 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is HLTRLMLKTRQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-19-15(12-20-8-10-24-11-9-20)17-18-16(19)13-4-6-21(7-5-13)25(22,23)14-2-3-14/h13-14H,2-12H2,1H3.
What are the key properties of 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-cyclopropylsulfonylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70716106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).