N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C16H30N4O5S — CID 4171976

IUPACN-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O5S/c21-16(17-3-6-18-7-11-24-12-8-18)15-1-4-19(5-2-15)26(22,23)20-9-13-25-14-10-20/h15H,1-14H2,(H,17,21)
InChIKeyYYQQKEZYVJCCNQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP-1.28
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4171976) has the molecular formula C16H30N4O5S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID4171976
Molecular FormulaC16H30N4O5S
Molecular Weight390.51 g/mol
Exact Mass390.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H30N4O5S/c21-16(17-3-6-18-7-11-24-12-8-18)15-1-4-19(5-2-15)26(22,23)20-9-13-25-14-10-20/h15H,1-14H2,(H,17,21)
InChIKeyYYQQKEZYVJCCNQ-UHFFFAOYSA-N
XLogP-1.28
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 4171976) is N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is YYQQKEZYVJCCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5S/c21-16(17-3-6-18-7-11-24-12-8-18)15-1-4-19(5-2-15)26(22,23)20-9-13-25-14-10-20/h15H,1-14H2,(H,17,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of -1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4171976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).