N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide

C13H22N4O3S — CID 110132286

IUPACN,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide
SMILESCc1nccnc1CCC1COCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-11-13(15-7-6-14-11)5-4-12-10-20-9-8-17(12)21(18,19)16(2)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyHHBCNYMOWBEJNF-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.22
Rot. Bonds5

About N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide

N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide (PubChem CID 110132286) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide
PubChem CID110132286
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide
SMILESCc1nccnc1CCC1COCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H22N4O3S/c1-11-13(15-7-6-14-11)5-4-12-10-20-9-8-17(12)21(18,19)16(2)3/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyHHBCNYMOWBEJNF-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide (CID 110132286) is N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide is Cc1nccnc1CCC1COCCN1S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide?
The InChIKey is HHBCNYMOWBEJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-11-13(15-7-6-14-11)5-4-12-10-20-9-8-17(12)21(18,19)16(2)3/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide?
N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 110132286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).