N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C11H20N4O2S — CID 55122289

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCNC(C)C)cn1
InChIInChI=1S/C11H20N4O2S/c1-9(2)12-4-5-18(16,17)15-8-11-7-13-10(3)6-14-11/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyBKGPYWORFYDHPM-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.20
Rot. Bonds7

About N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 55122289) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID55122289
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cnc(CNS(=O)(=O)CCNC(C)C)cn1
InChIInChI=1S/C11H20N4O2S/c1-9(2)12-4-5-18(16,17)15-8-11-7-13-10(3)6-14-11/h6-7,9,12,15H,4-5,8H2,1-3H3
InChIKeyBKGPYWORFYDHPM-UHFFFAOYSA-N
XLogP0.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 55122289) is N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is Cc1cnc(CNS(=O)(=O)CCNC(C)C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is BKGPYWORFYDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)12-4-5-18(16,17)15-8-11-7-13-10(3)6-14-11/h6-7,9,12,15H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 55122289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).