N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide

C14H26N2O4S — CID 126772100

IUPACN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide
SMILESCCCC1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C14H26N2O4S/c1-3-4-12-9-16(7-8-20-12)13(17)15-10-14(5-6-14)11-21(2,18)19/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyAQMTXTLBWVONPL-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.02
Rot. Bonds6

About N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide

N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide (PubChem CID 126772100) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide
PubChem CID126772100
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide
SMILESCCCC1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1
InChIInChI=1S/C14H26N2O4S/c1-3-4-12-9-16(7-8-20-12)13(17)15-10-14(5-6-14)11-21(2,18)19/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyAQMTXTLBWVONPL-UHFFFAOYSA-N
XLogP1.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide?
The IUPAC name of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide (CID 126772100) is N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide?
The canonical SMILES for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide is CCCC1CN(C(=O)NCC2(CS(C)(=O)=O)CC2)CCO1.
What is the InChIKey of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide?
The InChIKey is AQMTXTLBWVONPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-4-12-9-16(7-8-20-12)13(17)15-10-14(5-6-14)11-21(2,18)19/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide?
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-propylmorpholine-4-carboxamide is sourced from PubChem (CID 126772100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).