(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide

C19H31N5O4S — CID 92640567

IUPAC(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C19H31N5O4S/c1-4-23(5-2)29(26,27)24-9-7-6-8-17(24)18-16(14-20-15(3)21-18)19(25)22-10-12-28-13-11-22/h14,17H,4-13H2,1-3H3/t17-/m0/s1
InChIKeyVXDKWYBIBRPLCA-KRWDZBQOSA-N
MW425.56 g/mol
LogP1.37
Rot. Bonds6

About (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide

(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide (PubChem CID 92640567) has the molecular formula C19H31N5O4S and a molecular weight of 425.56 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide
PubChem CID92640567
Molecular FormulaC19H31N5O4S
Molecular Weight425.56 g/mol
Exact Mass425.21
IUPAC Name(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C19H31N5O4S/c1-4-23(5-2)29(26,27)24-9-7-6-8-17(24)18-16(14-20-15(3)21-18)19(25)22-10-12-28-13-11-22/h14,17H,4-13H2,1-3H3/t17-/m0/s1
InChIKeyVXDKWYBIBRPLCA-KRWDZBQOSA-N
XLogP1.37
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide (CID 92640567) is (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC[C@H]1c1nc(C)ncc1C(=O)N1CCOCC1.
What is the InChIKey of (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is VXDKWYBIBRPLCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O4S/c1-4-23(5-2)29(26,27)24-9-7-6-8-17(24)18-16(14-20-15(3)21-18)19(25)22-10-12-28-13-11-22/h14,17H,4-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide?
(2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 425.56 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-[2-methyl-5-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 92640567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).