(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide

C8H13N3O2S — CID 97175214

IUPAC(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N(C)C
InChIInChI=1S/C8H13N3O2S/c1-7(14(12,13)11(2)3)8-6-9-4-5-10-8/h4-7H,1-3H3/t7-/m0/s1
InChIKeyQKNGZEGHMMYDCA-ZETCQYMHSA-N
MW215.28 g/mol
LogP0.43
Rot. Bonds3

About (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide

(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide (PubChem CID 97175214) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide
PubChem CID97175214
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide
SMILESC[C@@H](c1cnccn1)S(=O)(=O)N(C)C
InChIInChI=1S/C8H13N3O2S/c1-7(14(12,13)11(2)3)8-6-9-4-5-10-8/h4-7H,1-3H3/t7-/m0/s1
InChIKeyQKNGZEGHMMYDCA-ZETCQYMHSA-N
XLogP0.43
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide?
The IUPAC name of (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide (CID 97175214) is (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide.
What is the SMILES notation for (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide?
The canonical SMILES for (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide is C[C@@H](c1cnccn1)S(=O)(=O)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide?
The InChIKey is QKNGZEGHMMYDCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-7(14(12,13)11(2)3)8-6-9-4-5-10-8/h4-7H,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide?
(1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-pyrazin-2-ylethanesulfonamide is sourced from PubChem (CID 97175214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).