N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C20H40N4O4S — CID 20887190

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)CC(C)C
InChIInChI=1S/C20H40N4O4S/c1-17(2)14-22(15-18(3)4)9-7-21-20(25)19-6-5-8-24(16-19)29(26,27)23-10-12-28-13-11-23/h17-19H,5-16H2,1-4H3,(H,21,25)
InChIKeyVUARTKIPBUTHQY-UHFFFAOYSA-N
MW432.63 g/mol
LogP1.01
Rot. Bonds10

About N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 20887190) has the molecular formula C20H40N4O4S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID20887190
Molecular FormulaC20H40N4O4S
Molecular Weight432.63 g/mol
Exact Mass432.28
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)CC(C)C
InChIInChI=1S/C20H40N4O4S/c1-17(2)14-22(15-18(3)4)9-7-21-20(25)19-6-5-8-24(16-19)29(26,27)23-10-12-28-13-11-23/h17-19H,5-16H2,1-4H3,(H,21,25)
InChIKeyVUARTKIPBUTHQY-UHFFFAOYSA-N
XLogP1.01
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 20887190) is N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is CC(C)CN(CCNC(=O)C1CCCN(S(=O)(=O)N2CCOCC2)C1)CC(C)C.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VUARTKIPBUTHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O4S/c1-17(2)14-22(15-18(3)4)9-7-21-20(25)19-6-5-8-24(16-19)29(26,27)23-10-12-28-13-11-23/h17-19H,5-16H2,1-4H3,(H,21,25).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20887190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).