propyl 4-(methanesulfonamido)piperidine-1-carboxylate

C10H20N2O4S — CID 112738689

IUPACpropyl 4-(methanesulfonamido)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-8-16-10(13)12-6-4-9(5-7-12)11-17(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyRRFSJOAFWBISMC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.55
Rot. Bonds4

About propyl 4-(methanesulfonamido)piperidine-1-carboxylate

propyl 4-(methanesulfonamido)piperidine-1-carboxylate (PubChem CID 112738689) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is propyl 4-(methanesulfonamido)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(methanesulfonamido)piperidine-1-carboxylate
PubChem CID112738689
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namepropyl 4-(methanesulfonamido)piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N2O4S/c1-3-8-16-10(13)12-6-4-9(5-7-12)11-17(2,14)15/h9,11H,3-8H2,1-2H3
InChIKeyRRFSJOAFWBISMC-UHFFFAOYSA-N
XLogP0.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(methanesulfonamido)piperidine-1-carboxylate?
The IUPAC name of propyl 4-(methanesulfonamido)piperidine-1-carboxylate (CID 112738689) is propyl 4-(methanesulfonamido)piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-(methanesulfonamido)piperidine-1-carboxylate?
The canonical SMILES for propyl 4-(methanesulfonamido)piperidine-1-carboxylate is CCCOC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of propyl 4-(methanesulfonamido)piperidine-1-carboxylate?
The InChIKey is RRFSJOAFWBISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-8-16-10(13)12-6-4-9(5-7-12)11-17(2,14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of propyl 4-(methanesulfonamido)piperidine-1-carboxylate?
propyl 4-(methanesulfonamido)piperidine-1-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(methanesulfonamido)piperidine-1-carboxylate is sourced from PubChem (CID 112738689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).