N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C15H29N3O4S — CID 20911290

IUPACN-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-13(2)5-6-16-15(19)14-4-3-7-18(12-14)23(20,21)17-8-10-22-11-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyCFKOPIJQIBOYAQ-UHFFFAOYSA-N
MW347.48 g/mol
LogP0.44
Rot. Bonds6

About N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20911290) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID20911290
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C15H29N3O4S/c1-13(2)5-6-16-15(19)14-4-3-7-18(12-14)23(20,21)17-8-10-22-11-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyCFKOPIJQIBOYAQ-UHFFFAOYSA-N
XLogP0.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 20911290) is N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CFKOPIJQIBOYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-13(2)5-6-16-15(19)14-4-3-7-18(12-14)23(20,21)17-8-10-22-11-9-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20911290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).