N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide

C13H24N4O2S — CID 91836070

IUPACN,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide
SMILESCC(Cc1cnccn1)N(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-12(10-13-11-14-6-7-15-13)17(4)8-5-9-20(18,19)16(2)3/h6-7,11-12H,5,8-10H2,1-4H3
InChIKeyBBORHXVQRNHZHW-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.62
Rot. Bonds8

About N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide

N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide (PubChem CID 91836070) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide
PubChem CID91836070
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide
SMILESCC(Cc1cnccn1)N(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-12(10-13-11-14-6-7-15-13)17(4)8-5-9-20(18,19)16(2)3/h6-7,11-12H,5,8-10H2,1-4H3
InChIKeyBBORHXVQRNHZHW-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.62
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-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide (CID 91836070) is N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide is CC(Cc1cnccn1)N(C)CCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide?
The InChIKey is BBORHXVQRNHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-12(10-13-11-14-6-7-15-13)17(4)8-5-9-20(18,19)16(2)3/h6-7,11-12H,5,8-10H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide?
N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 91836070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).